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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(1-methylpiperidin-4-yl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(1-methylpiperidine-4-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[(1-methyl-4-piperidinyl)-oxomethyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-(1-methylpiperidine-4-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-(1-methylisonipecotoyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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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)C4CCN(CC4)C

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4CCN(CC4)C

InChI

InChI=1S/C25H33N3O3/c1-16(2)31-24(30)19-14-28(23(29)17-10-12-27(5)13-11-17)15-25(3,4)21-18-8-6-7-9-20(18)26-22(19)21/h6-9,14,16-17,26H,10-13,15H2,1-5H3