3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCN2C3=CC=CC=C3NC2=O)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCCCN2C3=CC=CC=C3NC2=O)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H23N5O3/c23-14-16-6-7-20(24-15-16)26-11-8-17(9-12-26)21(28)30-13-3-10-27-19-5-2-1-4-18(19)25-22(27)29/h1-2,4-7,15,17H,3,8-13H2,(H,25,29)