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Benzodiazepines
Description:
Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
Ancestors:
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R1530Formula: C18H14ClFN4O Molecular Weight: 356.78IUPAC Name: 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepineSMILES: CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OCInChIKey: UOVCGJXDGOGOCZ-UHFFFAOYSA-NInChI: InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)Synonyms: EX-A2311 | NSC767953 | NSC-767953 | UNII-XQJ55R5PPQ | 5-(2-Chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1,2-dihydrobenzo...
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AF-DX 384Cas Number: 118290-26-9Formula: C27H38N6O2 Molecular Weight: 478.64IUPAC Name: N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamideSMILES: CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4InChIKey: MZDYABXXPZNUCT-UHFFFAOYSA-NInChI: show moreSynonyms: N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carbox...
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AQ-RA 741Cas Number: 123548-16-3Formula: C27H37N5O2 Molecular Weight: 463.61IUPAC Name: 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-oneSMILES: CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4InChIKey: BCUGCHZRMKTPMU-UHFFFAOYSA-NInChI: show moreSynonyms: HMS3677C12 | HMS3413C12 | 11-[[4-[4-(DIETHYLAMINO)BUTYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZ...
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8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepineCas Number: 107479-55-0Formula: C9H11ClN2 Molecular Weight: 182.65IUPAC Name: 8-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepineSMILES: C1CNC2=C(CN1)C=CC(=C2)ClInChIKey: PDJZJYRZZSOTMF-UHFFFAOYSA-NInChI: InChI=1S/C9H11ClN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11-12H,3-4,6H2Synonyms: 2-(Aminomethyl)-4-methyl-5(4H)-oxazolone | AKOS006287257 | AS-37262 | Q-102429 | 8-chloro-2,3,4,5-tetrahydro-1H-1,4-b...
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DREADD Agonist 21Cas Number: 56296-18-5Formula: C17H18N4 Molecular Weight: 278.35IUPAC Name: 6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42InChIKey: JCBYXNSOLUVGTF-UHFFFAOYSA-NInChI: InChI=1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2Synonyms: 11-(1-piperazinyl)-5H-Dibenzo[b,e][1,4]diazepine | 11-(Piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 11-Piperazinyl...
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Pirenzepine dihydrochlorideFormula: C19H21N5O2·2HCl Molecular Weight: 424.32IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochlorideSMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl.ClInChIKey: FFNMBRCFFADNAO-UHFFFAOYSA-NInChI: InChI=1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1HSynonyms: Pirenzepine dihydrochloride | SR-01000000220-2 | Bisvanil | Pirenzepine dihydrochloride, >=98% (TLC), powder | BCP124...
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Telenzepine dihydrochlorideCas Number: 147416-96-4 Compound CID: 6419995Formula: C19H22N4O2S.2HCl Molecular Weight: 443.39IUPAC Name: 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one;dihydrochlorideSMILES: CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl.ClInChIKey: JTQJFSQQHGPLOX-UHFFFAOYSA-NInChI: InChI=1S/C19H22N4O2S.2ClH/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22;;/h3-6,12H,7-11H2,1-2H3,(H,20,25);2*1HSynonyms: DTXSID10423564 | J-008354 | T-122 | Prestwick_649 | SR-01000075349-1 | 10H-Thieno[3,4-b][1,5]benzodiazepin-10-one, 4,...
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N-desmethylclozapineCas Number: 6104-71-8Formula: C17H17ClN4 Molecular Weight: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2Synonyms: BCP30683 | CAS_2820 | GTPL333 | UNII-1I9001LWY8 | BDBM50122054 | BRD-K10042277-001-04-3 | Desmethylclozapine | 3-chlo...
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BMS-214662 hydrochlorideCas Number: 195981-08-9 Compound CID: 44189294Formula: C25H24ClN5O2S2 Molecular Weight: 526.07IUPAC Name: (3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile;hydrochlorideSMILES: C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5.ClInChIKey: LBPFLNDUCNNGPS-GNAFDRTKSA-NInChI: show moreSynonyms: 195981-08-9|BMS-214662 hydrochloride|(R)-1-((1H-Imidazol-4-yl)methyl)-3-benzyl-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetr...
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OlanzapineCas Number: 132539-06-1Formula: C17H20N4S Molecular Weight: 312.43IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepineSMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CInChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-NInChI: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3Synonyms: NSC_4585 | Olanzapine Teva | 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine | OLANZAPIN...
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MNI 137Cas Number: 946619-21-2Formula: C15H9BrN4O Molecular Weight: 341.16IUPAC Name: 4-(8-bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrileSMILES: C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC(=NC=C3)C#NInChIKey: KMKZCMKOSAKVGY-UHFFFAOYSA-NInChI: InChI=1S/C15H9BrN4O/c16-10-1-2-12-14(6-10)20-15(21)7-13(19-12)9-3-4-18-11(5-9)8-17/h1-6H,7H2,(H,20,21)Synonyms: 4-(8-Bromo-2,3-dihydro-2-oxo-1H-1,5-benzodiazepin-4-yl)-2-pyridinecarbonitrile | 4-(7-bromo-4-hydroxy-3H-benzo[b][1,4...
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Ro 15-4513Cas Number: 91917-65-6 Compound CID: 5081Formula: C15H14N6O3 Molecular Weight: 326.31IUPAC Name: ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylateSMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])CInChIKey: CFSOJZTUTOQNIA-UHFFFAOYSA-NInChI: InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3Synonyms: BRD-K82823076-001-01-8 | CS-0027980 | UNII-S5XGL82O5Y | [3H]Ro154513 | [3H]Ro15-4513 | Ro 154513 | Ro 15-4513 | 4H-Im...


