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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

InChI

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