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Isoindoles and derivatives
Description:
Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring.
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2-(tert-butoxycarbonyl)isoindoline-4-carboxylicacidCas Number: 1044764-69-3 Compound CID: 57415656Formula: C14H17NO4 Molecular Weight: 263.29IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acidSMILES: CC(C)(C)OC(=O)N1CC2=C(C1)C(=CC=C2)C(=O)OInChIKey: TWSXZRDGGYYYOB-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-9-5-4-6-10(12(16)17)11(9)8-15/h4-6H,7-8H2,1-3H3,(H,16,17) -
2-(tert-Butoxycarbonyl)isoindoline-5-carboxylic acidCas Number: 149353-71-9 Compound CID: 16450143Formula: C14H17NO4 Molecular Weight: 263.3IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylic acidSMILES: CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)C(=O)OInChIKey: WUVSWGUHNFPCCI-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-10-5-4-9(12(16)17)6-11(10)8-15/h4-6H,7-8H2,1-3H3,(H,16,17)
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2-(4-Oxocyclohexylmethyl)isoindole-1，3-dioneCas Number: 423116-18-1 Compound CID: 22633618IUPAC Name: 2-[(4-oxocyclohexyl)methyl]isoindole-1,3-dioneSMILES: C1CC(=O)CCC1CN2C(=O)C3=CC=CC=C3C2=OInChIKey: CIXKYGZRROIQLQ-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO3/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(16)19/h1-4,10H,5-9H2
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2-(4-Hydroxybutyl)isoindoline-1，3-dioneCas Number: 24697-70-9 Compound CID: 11117528Formula: C12H13NO3 Molecular Weight: 219.24IUPAC Name: 2-(4-hydroxybutyl)isoindole-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOInChIKey: FWNCNQDIENYPDJ-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2
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2-(3-Aminopropyl)isoindoline-1，3-dione hydrochlorideCas Number: 121821-01-0 Compound CID: 14374493Formula: C11H12N2O2•HCl Molecular Weight: 240.68IUPAC Name: 2-(3-aminopropyl)isoindole-1,3-dione;hydrochlorideSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN.ClInChIKey: GEFZFHTWRMQGOO-UHFFFAOYSA-NInChI: InChI=1S/C11H12N2O2.ClH/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;/h1-2,4-5H,3,6-7,12H2;1H
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2-(2，4-Dinitro-phenoxy)-isoindole-1，3-dioneCas Number: 60506-35-6 Compound CID: 7036309Formula: C14H7N3O7 Molecular Weight: 329.22IUPAC Name: 2-(2,4-dinitrophenoxy)isoindole-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]InChIKey: FQMFEIJLRJXTSK-UHFFFAOYSA-NInChI: InChI=1S/C14H7N3O7/c18-13-9-3-1-2-4-10(9)14(19)15(13)24-12-6-5-8(16(20)21)7-11(12)17(22)23/h1-7H
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2-((6-Chloropyridin-3-yl)methyl)isoindoline-1，3-dioneCas Number: 120739-60-8 Compound CID: 14324713Formula: C14H9ClN2O2 Molecular Weight: 272.68IUPAC Name: 2-[(6-chloropyridin-3-yl)methyl]isoindole-1,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CN=C(C=C3)ClInChIKey: VJWRGOSBPDZVMI-UHFFFAOYSA-NInChI: InChI=1S/C14H9ClN2O2/c15-12-6-5-9(7-16-12)8-17-13(18)10-3-1-2-4-11(10)14(17)19/h1-7H,8H2
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(R)-3-Methylisoindolin-1-oneCas Number: 131615-22-0 Compound CID: 10582918Formula: C9H9NO Molecular Weight: 147.17IUPAC Name: (3R)-3-methyl-2,3-dihydroisoindol-1-oneSMILES: CC1C2=CC=CC=C2C(=O)N1InChIKey: VNPWIDIVQOFLQS-ZCFIWIBFSA-NInChI: InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)/t6-/m1/s1
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(1，3-Dioxoisoindolin-2-yl)methyl acetateCas Number: 5493-24-3 Compound CID: 4737795Formula: C11H9NO4 Molecular Weight: 219.2IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl acetateSMILES: CC(=O)OCN1C(=O)C2=CC=CC=C2C1=OInChIKey: TUKNTJVUVGIEQA-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO4/c1-7(13)16-6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3
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Pomalidomide-C2-NH2Cas Number: 1957235-66-3 Compound CID: 44571923IUPAC Name: 4-(2-aminoethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCNInChIKey: WYIGFEKILOYHCT-UHFFFAOYSA-NInChI: InChI=1S/C15H16N4O4/c16-6-7-17-9-3-1-2-8-12(9)15(23)19(14(8)22)10-4-5-11(20)18-13(10)21/h1-3,10,17H,4-7,16H2,(H,18,20,21)
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Phenolphthalein AnilideCas Number: 6607-41-6 Compound CID: 2832097Formula: C26H19NO3IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-oneSMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)OInChIKey: YBLBHSSRHHJKEK-UHFFFAOYSA-NInChI: InChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H
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6-Amino-1-ethylbenzo[cd]indol-2(1H)-oneCas Number: 51331-93-2 Compound CID: 771515Formula: C13H12N2O Molecular Weight: 212.25IUPAC Name: 6-amino-1-ethylbenzo[cd]indol-2-oneSMILES: CCN1C2=C3C(=C(C=C2)N)C=CC=C3C1=OInChIKey: LZXPPDSORWBMRR-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2,14H2,1H3
