3-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxidanylidene-1-(phenylmethyl)-3,4-dihydroquinolin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: 3-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxidanylidene-1-(phenylmethyl)-3,4-dihydroquinolin-4-yl]amino]piperidine-1-carboxylate Openeye Name: 3-[[1-benzyl-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxo-3,4-dihydroquinolin-4-yl]amino]piperidine-1-carboxylate CAS Name: 3-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxo-1-(phenylmethyl)-3,4-dihydroquinolin-4-yl]amino]-1-piperidinecarboxylate IUPAC Name: 3-[[1-benzyl-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-oxo-3,4-dihydroquinolin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 3-[[1-benzyl-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-keto-3,4-dihydroquinolin-4-yl]amino]piperidine-1-carboxylate Formula: C31H32N5O3- MolecularWeight: 522.61748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3C(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)NC6CCCN(C6)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3C(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)NC6CCCN(C6)C(=O)[O-]

InChI

InChI=1S/C31H33N5O3/c1-19-15-24-25(16-20(19)2)34-29(33-24)27-28(32-22-11-8-14-35(18-22)31(38)39)23-12-6-7-13-26(23)36(30(27)37)17-21-9-4-3-5-10-21/h3-7,9-10,12-13,15-16,22,27-28,32H,8,11,14,17-18H2,1-2H3,(H,33,34)(H,38,39)/p-1