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

Systemtic Name: ethyl 1-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: 1-(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: 1-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)nipecotic acid ethyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-3-27-21(26)15-7-6-10-24(13-15)19-11-14(2)16(12-22)20-23-17-8-4-5-9-18(17)25(19)20/h4-5,8-9,11,15H,3,6-7,10,13H2,1-2H3