dimethyl 6-azanyl-5-cyano-1-phenyl-4-pyridin-3-yl-4H-pyridine-2,3-dicarboxylate

Systemtic Name: dimethyl 6-azanyl-5-cyano-1-phenyl-4-pyridin-3-yl-4H-pyridine-2,3-dicarboxylate Openeye Name: dimethyl 6-amino-5-cyano-1-phenyl-4-(3-pyridyl)-4H-pyridine-2,3-dicarboxylate CAS Name: 6-amino-5-cyano-1-phenyl-4-(3-pyridinyl)-4H-pyridine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-amino-5-cyano-1-phenyl-4-pyridin-3-yl-4H-pyridine-2,3-dicarboxylate Traditional Name: 6-amino-5-cyano-1-phenyl-4-(3-pyridyl)-4H-pyridine-2,3-dicarboxylic acid dimethyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C(C1C2=CN=CC=C2)C#N)N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C(=C(C1C2=CN=CC=C2)C#N)N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18N4O4/c1-28-20(26)17-16(13-7-6-10-24-12-13)15(11-22)19(23)25(18(17)21(27)29-2)14-8-4-3-5-9-14/h3-10,12,16H,23H2,1-2H3