propan-2-yl 1,1-dimethyl-3-(3-methylphenyl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(3-methylphenyl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(3-methylbenzoyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[(3-methylphenyl)-oxomethyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-(3-methylbenzoyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-m-toluoyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

InChI

InChI=1S/C26H28N2O3/c1-16(2)31-25(30)20-14-28(24(29)18-10-8-9-17(3)13-18)15-26(4,5)22-19-11-6-7-12-21(19)27-23(20)22/h6-14,16,27H,15H2,1-5H3