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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(propylcarbamoyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-(propylcarbamoyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo(propylamino)methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-(propylcarbamoyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-(propylcarbamoyl)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC(C2=C(C(=C1)C(=O)OC(C)C)NC3=CC=CC=C32)(C)C

Isomeric SMILES

CCCNC(=O)N1CC(C2=C(C(=C1)C(=O)OC(C)C)NC3=CC=CC=C32)(C)C

InChI

InChI=1S/C22H29N3O3/c1-6-11-23-21(27)25-12-16(20(26)28-14(2)3)19-18(22(4,5)13-25)15-9-7-8-10-17(15)24-19/h7-10,12,14,24H,6,11,13H2,1-5H3,(H,23,27)