4-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=CC=C2)C3=C(NN=C3C)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=CC=C2)C3=C(NN=C3C)C

InChI

InChI=1S/C16H18N4O/c1-9-13(10(2)18-17-9)15(12-7-5-4-6-8-12)14-11(3)19-20-16(14)21/h4-8,15H,1-3H3,(H,17,18)(H2,19,20,21)