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Benzazepines

Description:

Organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
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  1. Imipramine
    Cas Number: 50-49-7
    Formula:  C19H24N2        Molecular Weight: 280.42
    IUPAC Name:  3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
    SMILES:  CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
    InChIKey: BCGWQEUPMDMJNV-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
    Synonyms: HSDB 3100 | Dimipressin | Tofranil (hydrochloride) | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-...
  2. clomipramine
    Cas Number: 303-49-1        Compound CID:  2801
    Formula:  C19H24Cl2N2        Molecular Weight: 351.32
    IUPAC Name:  3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
    SMILES:  CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
    InChIKey: GDLIGKIOYRNHDA-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
    Synonyms: HY-B0457A | Hydiphen | 5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl- | 3-(2-chloro-5,6-di...
  3. alsterpaullone 2-cyanoethyl
    Cas Number: 852527-97-0        Compound CID:  16760286
    IUPAC Name:  3-{14-nitro-9-oxo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-4-yl}propanenitrile
    SMILES:  N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-]
    InChIKey: UBLFSMURWWWWMH-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)
    Synonyms: alsterpaullone derivative7
  4. SKF-38393
    Cas Number: 67287-49-4        Compound CID:  1242
    IUPAC Name:  1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
    SMILES:  Oc1cc2CCNCC(c2cc1O)c1ccccc1
    InChIKey: JUDKOGFHZYMDMF-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
    Synonyms: 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine | BSPBio_002384 | SKF38393 | SKF-38393 | NCGC00015299-05 |...
  5. SKF-75670
    IUPAC Name:  3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
    SMILES:  CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O
    InChIKey: LIHCKGZEDBNUJG-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3
  6. SKF-81297
    Cas Number: 71636-61-8        Compound CID:  1218
    Formula:  C16H16ClNO2        Molecular Weight: 289.75
    IUPAC Name:  9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
    SMILES:  C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3
    InChIKey: GHWJEDJMOVUXEC-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
    Synonyms: 6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol | L000565 | 6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...
  7. SKF-83566
    IUPAC Name:  7-bromo-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
    SMILES:  CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O
    InChIKey: XFTVOHWWEQGXLS-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
    Synonyms: SKF-83566 | 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1h-3-benzazepin-7-ol | SK83566 | SK-83566 | CHEBI:91747 | PD...
  8. SKF-83959
    IUPAC Name:  6-chloro-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
    SMILES:  CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O
    InChIKey: JXMYTVOBSFOHAF-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3
    Synonyms: J489.412J | CHEBI:64001 | NCGC00015940-03 | 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8...
  9. SKF 105854
    IUPAC Name:  2-bromo-7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13)-tetraene
    SMILES:  CN1CCc2c3c(C1)c(Br)oc3ccc2Cl
    InChIKey: NYGANYRUZQPPGP-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H11BrClNO/c1-15-5-4-7-9(14)2-3-10-11(7)8(6-15)12(13)16-10/h2-3H,4-6H2,1H3
    Synonyms: SK&F 105854;SK-105854
  10. OPC-51803
    Cas Number: 192514-54-8        Compound CID:  3038506
    IUPAC Name:  2-[(5R)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide
    SMILES:  CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C
    InChIKey: INGXCNVWWKKWOO-LJQANCHMSA-N
    InChI:  InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2show more
    Synonyms: (5R)-5-isopropylaminocarbonylmethyl-1-[4-(1-pyrrolidinyl)-2-chlorobenzoyl]-2,3,4,5-tetrahydro-1H-benzazepine | UNII-1...
  11. LY134046
    Cas Number: 71274-97-0        Compound CID:  121938
    IUPAC Name:  8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
    SMILES:  Clc1ccc2c(c1Cl)CNCCC2
    InChIKey: IADAQXMUWITWNG-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2
    Synonyms: 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride | UNII-2K2UE2I8AY | 8,9-Dichloro-2,3,4,5-tetrahydro-1H...
  12. K185
    Cas Number: 244160-11-0        Compound CID:  5311198
    IUPAC Name:  N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide
    SMILES:  CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2
    InChIKey: SPIFQXPRSJKRAO-UHFFFAOYSA-N
    InChI:  InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,show more
    Synonyms: LP00696 | N-[2-(6,7-Dihydro-11-methoxy-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide | NCGC00015579-04 | BDBM5...
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