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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-piperazin-1-ylcarbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(piperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo(1-piperazinyl)methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-(piperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-(piperazine-1-carbonyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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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)N4CCNCC4

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)N4CCNCC4

InChI

InChI=1S/C23H30N4O3/c1-15(2)30-21(28)17-13-27(22(29)26-11-9-24-10-12-26)14-23(3,4)19-16-7-5-6-8-18(16)25-20(17)19/h5-8,13,15,24-25H,9-12,14H2,1-4H3