ethyl 3-(4-chlorophenyl)carbonyl-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-1-methyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN2O3/c1-3-29-23(28)18-13-26(22(27)15-8-10-16(24)11-9-15)12-14(2)20-17-6-4-5-7-19(17)25-21(18)20/h4-11,13-14,25H,3,12H2,1-2H3