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

Systemtic Name: ethyl 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]isonipecotic acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C=C2C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C=C2C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C

InChI

InChI=1S/C22H22N4O3/c1-3-29-22(28)15-8-10-25(11-9-15)13-17-14(2)16(12-23)20-24-18-6-4-5-7-19(18)26(20)21(17)27/h4-7,13,15H,3,8-11H2,1-2H3