ethyl 1-[4-cyano-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-cyano-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-benzyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: 1-[4-cyano-3-methyl-2-(phenylmethyl)-1-pyrido[1,2-a]benzimidazolyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzyl-4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: 1-(2-benzyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)nipecotic acid ethyl ester Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-3-34-28(33)21-12-9-15-31(18-21)27-22(16-20-10-5-4-6-11-20)19(2)23(17-29)26-30-24-13-7-8-14-25(24)32(26)27/h4-8,10-11,13-14,21H,3,9,12,15-16,18H2,1-2H3