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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-(4-pyrrolidinopiperidine-1-carbonyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C28H38N4O3 MolecularWeight: 478.62632

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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)N4CCC(CC4)N5CCCC5

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)N4CCC(CC4)N5CCCC5

InChI

InChI=1S/C28H38N4O3/c1-19(2)35-26(33)22-17-32(27(34)31-15-11-20(12-16-31)30-13-7-8-14-30)18-28(3,4)24-21-9-5-6-10-23(21)29-25(22)24/h5-6,9-10,17,19-20,29H,7-8,11-16,18H2,1-4H3