ethyl 2-butyl-4-cyano-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-7-carboxylate

Systemtic Name: ethyl 2-butyl-4-cyano-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-7-carboxylate Openeye Name: ethyl 2-butyl-4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-7-carboxylate CAS Name: 2-butyl-4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-7-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-7-carboxylate Traditional Name: 2-butyl-4-cyano-1-keto-3-methyl-5H-pyrido[1,2-a]benzimidazole-7-carboxylic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2NC3=C(N2C1=O)C=CC(=C3)C(=O)OCC)C#N)C

Isomeric SMILES

CCCCC1=C(C(=C2NC3=C(N2C1=O)C=CC(=C3)C(=O)OCC)C#N)C

InChI

InChI=1S/C20H21N3O3/c1-4-6-7-14-12(3)15(11-21)18-22-16-10-13(20(25)26-5-2)8-9-17(16)23(18)19(14)24/h8-10,22H,4-7H2,1-3H3