ethyl (1E)-N-[3-cyano-6-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-4-phenyl-pyridin-2-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[3-cyano-6-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-4-phenyl-pyridin-2-yl]methanimidate Openeye Name: ethyl (1E)-N-[3-cyano-6-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-phenyl-2-pyridyl]methanimidate CAS Name: (1E)-N-[3-cyano-6-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-phenyl-2-pyridinyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[3-cyano-6-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-phenylpyridin-2-yl]methanimidate Traditional Name: (1E)-N-[3-cyano-6-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-4-phenyl-2-pyridyl]formimidic acid ethyl ester Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(=CC(=N1)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CCO/C=N/C1=C(C(=CC(=N1)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N5O2/c1-3-32-16-27-24-21(15-26)20(18-10-6-4-7-11-18)14-22(28-24)23-17(2)29-30(25(23)31)19-12-8-5-9-13-19/h4-14,16,23H,3H2,1-2H3/b27-16+