tert-butyl 9,10-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 9,10-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 9,10-dichloro-6-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 9,10-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 9,10-dichloro-6-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 9,10-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=C2C=CC(=C4Cl)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C4=C2C=CC(=C4Cl)Cl)C

InChI

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