3-cyano-N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]benzamide

Systemtic Name: 3-cyano-N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]benzamide Openeye Name: 3-cyano-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]benzamide CAS Name: 3-cyano-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-phenyl-3-pyrazolyl]benzamide IUPAC Name: 3-cyano-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-phenylpyrazol-3-yl]benzamide Traditional Name: 3-cyano-N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]benzamide Formula: C22H16N6O2 MolecularWeight: 396.40144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H16N6O2/c1-14-10-20(29)26-22(24-14)28-19(12-18(27-28)16-7-3-2-4-8-16)25-21(30)17-9-5-6-15(11-17)13-23/h2-12H,1H3,(H,25,30)(H,24,26,29)