ethyl 1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-3-(4-pyridin-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-3-(4-pyridin-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-2-methyl-5-oxo-3-[4-(2-pyridyl)phenyl]pyrazole-4-carboxylate CAS Name: 1-(4-cyanophenyl)-2-methyl-5-oxo-3-[4-(2-pyridinyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-2-methyl-5-oxo-3-(4-pyridin-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-cyanophenyl)-5-keto-2-methyl-3-[4-(2-pyridyl)phenyl]-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H20N4O3/c1-3-32-25(31)22-23(19-11-9-18(10-12-19)21-6-4-5-15-27-21)28(2)29(24(22)30)20-13-7-17(16-26)8-14-20/h4-15H,3H2,1-2H3