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

Systemtic Name: propan-2-yl 3-(azepan-1-ylcarbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(azepane-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[1-azepanyl(oxo)methyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(azepane-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(azepane-1-carbonyl)-1,1-dimethyl-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)N4CCCCCC4

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O3/c1-17(2)31-23(29)19-15-28(24(30)27-13-9-5-6-10-14-27)16-25(3,4)21-18-11-7-8-12-20(18)26-22(19)21/h7-8,11-12,15,17,26H,5-6,9-10,13-14,16H2,1-4H3