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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(phenylcarbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-benzoyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-benzoyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-benzoyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-benzoyl-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-16(2)30-24(29)19-14-27(23(28)17-10-6-5-7-11-17)15-25(3,4)21-18-12-8-9-13-20(18)26-22(19)21/h5-14,16,26H,15H2,1-4H3