ethyl 5-cyano-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-ethyl-6-(1-pyridin-4-ylpiperidin-4-yl)benzimidazole-4-carboxylate

Systemtic Name: ethyl 5-cyano-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-ethyl-6-(1-pyridin-4-ylpiperidin-4-yl)benzimidazole-4-carboxylate Openeye Name: ethyl 5-cyano-1-[2-(cyclohexylamino)-2-oxo-ethyl]-2-ethyl-6-[1-(4-pyridyl)-4-piperidyl]benzimidazole-4-carboxylate CAS Name: 5-cyano-1-[2-(cyclohexylamino)-2-oxoethyl]-2-ethyl-6-(1-pyridin-4-yl-4-piperidinyl)-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[2-(cyclohexylamino)-2-oxoethyl]-2-ethyl-6-(1-pyridin-4-ylpiperidin-4-yl)benzimidazole-4-carboxylate Traditional Name: 5-cyano-1-[2-(cyclohexylamino)-2-keto-ethyl]-2-ethyl-6-[1-(4-pyridyl)-4-piperidyl]benzimidazole-4-carboxylic acid ethyl ester Formula: C31H38N6O3 MolecularWeight: 542.67182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC(=O)NC3CCCCC3)C=C(C(=C2C(=O)OCC)C#N)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CCC1=NC2=C(N1CC(=O)NC3CCCCC3)C=C(C(=C2C(=O)OCC)C#N)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C31H38N6O3/c1-3-27-35-30-26(37(27)20-28(38)34-22-8-6-5-7-9-22)18-24(25(19-32)29(30)31(39)40-4-2)21-12-16-36(17-13-21)23-10-14-33-15-11-23/h10-11,14-15,18,21-22H,3-9,12-13,16-17,20H2,1-2H3,(H,34,38)