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

Systemtic Name: ethyl 1-[4-cyano-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazol-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-cyano-3-methyl-2-(p-tolylmethyl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-3-carboxylate CAS Name: 1-[4-cyano-3-methyl-2-[(4-methylphenyl)methyl]-1-pyrido[1,2-a]benzimidazolyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-cyano-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazol-1-yl]piperidine-3-carboxylate Traditional Name: 1-[4-cyano-3-methyl-2-(4-methylbenzyl)pyrido[1,2-a]benzimidazol-1-yl]nipecotic acid ethyl ester Formula: C29H30N4O2 MolecularWeight: 466.5741

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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=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O2/c1-4-35-29(34)22-8-7-15-32(18-22)28-23(16-21-13-11-19(2)12-14-21)20(3)24(17-30)27-31-25-9-5-6-10-26(25)33(27)28/h5-6,9-14,22H,4,7-8,15-16,18H2,1-3H3