5-cyano-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-cyano-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-cyano-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-cyano-4-[3-(1-imidazolyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-cyano-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-cyano-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)N3C=CN=C3)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)N3C=CN=C3)C#N

InChI

InChI=1S/C18H16N4O2/c1-11-15(9-19)17(16(18(23)24)12(2)21-11)13-4-3-5-14(8-13)22-7-6-20-10-22/h3-8,10,17,21H,1-2H3,(H,23,24)