dimethyl (4S)-6-azanyl-5-cyano-1-(4-fluorophenyl)-4-pyridin-3-yl-4H-pyridine-2,3-dicarboxylate

Systemtic Name: dimethyl (4S)-6-azanyl-5-cyano-1-(4-fluorophenyl)-4-pyridin-3-yl-4H-pyridine-2,3-dicarboxylate Openeye Name: dimethyl (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-(3-pyridyl)-4H-pyridine-2,3-dicarboxylate CAS Name: (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-(3-pyridinyl)-4H-pyridine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-pyridin-3-yl-4H-pyridine-2,3-dicarboxylate Traditional Name: (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-(3-pyridyl)-4H-pyridine-2,3-dicarboxylic acid dimethyl ester Formula: C21H17FN4O4 MolecularWeight: 408.382483

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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=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C(=C([C@@H]1C2=CN=CC=C2)C#N)N)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H17FN4O4/c1-29-20(27)17-16(12-4-3-9-25-11-12)15(10-23)19(24)26(18(17)21(28)30-2)14-7-5-13(22)6-8-14/h3-9,11,16H,24H2,1-2H3/t16-/m0/s1