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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(4-propylpiperazin-1-yl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(4-propylpiperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo-(4-propyl-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-(4-propylpiperazine-1-carbonyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-(4-propylpiperazine-1-carbonyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

Isomeric SMILES

CCCN1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

InChI

InChI=1S/C26H36N4O3/c1-6-11-28-12-14-29(15-13-28)25(32)30-16-20(24(31)33-18(2)3)23-22(26(4,5)17-30)19-9-7-8-10-21(19)27-23/h7-10,16,18,27H,6,11-15,17H2,1-5H3