methyl 4-(2-azanyl-3-cyano-6-methyl-5-phenyl-pyridin-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6-methyl-5-phenyl-pyridin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-6-methyl-5-phenyl-4-pyridyl)benzoate CAS Name: 4-(2-amino-3-cyano-6-methyl-5-phenyl-4-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6-methyl-5-phenylpyridin-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6-methyl-5-phenyl-4-pyridyl)benzoic acid methyl ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2/c1-13-18(14-6-4-3-5-7-14)19(17(12-22)20(23)24-13)15-8-10-16(11-9-15)21(25)26-2/h3-11H,1-2H3,(H2,23,24)