2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-(p-tolylmethyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-(4-methylbenzyl)-3-pyrazolin-3-one Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NN(C2=O)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NN(C2=O)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C19H17N3O2/c1-12-7-9-14(10-8-12)11-15-13(2)21-22(18(15)23)19-20-16-5-3-4-6-17(16)24-19/h3-10,21H,11H2,1-2H3