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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-[(phenylmethyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(benzylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo-[(phenylmethyl)amino]methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(benzylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(benzylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-17(2)32-24(30)20-15-29(25(31)27-14-18-10-6-5-7-11-18)16-26(3,4)22-19-12-8-9-13-21(19)28-23(20)22/h5-13,15,17,28H,14,16H2,1-4H3,(H,27,31)