2-[5-methyl-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[5-methyl-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[5-methyl-3-oxo-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzyl-5-keto-3-methyl-3-pyrazolin-1-yl)-6-phenyl-1H-pyrimidin-4-one Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC(=O)C=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC(=O)C=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-14-17(12-15-8-4-2-5-9-15)20(27)25(24-14)21-22-18(13-19(26)23-21)16-10-6-3-7-11-16/h2-11,13,24H,12H2,1H3,(H,22,23,26)