ethyl 4-[2-[5-cyano-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[2-[5-cyano-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: ethyl 4-[2-[5-cyano-1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[2-[5-cyano-1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]ethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-cyano-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[2-[5-cyano-1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]ethyl]-1-(4-pyridyl)isonipecotic acid ethyl ester Formula: C31H38N6O3 MolecularWeight: 542.67182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCC3=NC4=C(N3CC(=O)NC5CCCCC5)C=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCC3=NC4=C(N3CC(=O)NC5CCCCC5)C=CC(=C4)C#N

InChI

InChI=1S/C31H38N6O3/c1-2-40-30(39)31(14-18-36(19-15-31)25-11-16-33-17-12-25)13-10-28-35-26-20-23(21-32)8-9-27(26)37(28)22-29(38)34-24-6-4-3-5-7-24/h8-9,11-12,16-17,20,24H,2-7,10,13-15,18-19,22H2,1H3,(H,34,38)