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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCCN1C2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC5=CC=CC=C5

InChI

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