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

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6-pyridin-4-yl-pyridin-4-yl)benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-(4-pyridyl)-4-pyridyl]benzoate CAS Name: 4-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6-pyridin-4-ylpyridin-4-yl)benzoate Traditional Name: 4-[2-amino-3-cyano-6-(4-pyridyl)-4-pyridyl]benzoic acid methyl ester Formula: C19H14N4O2 MolecularWeight: 330.34006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=NC=C3

InChI

InChI=1S/C19H14N4O2/c1-25-19(24)14-4-2-12(3-5-14)15-10-17(13-6-8-22-9-7-13)23-18(21)16(15)11-20/h2-10H,1H3,(H2,21,23)