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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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