tert-butyl 8,9-bis(chloranyl)-6-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 8,9-bis(chloranyl)-6-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 8,9-dichloro-6-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 8,9-dichloro-6-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8,9-dichloro-6-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 8,9-dichloro-6-[2-(2,3-dimethylanilino)-2-keto-ethyl]-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C27H31Cl2N3O3 MolecularWeight: 516.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C4=CC(=C(C=C42)Cl)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C4=CC(=C(C=C42)Cl)Cl)C

InChI

InChI=1S/C27H31Cl2N3O3/c1-16-7-6-8-22(17(16)2)30-25(33)15-32-23-10-12-31(26(34)35-27(3,4)5)11-9-18(23)19-13-20(28)21(29)14-24(19)32/h6-8,13-14H,9-12,15H2,1-5H3,(H,30,33)