5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-benzyloxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(4-benzoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(NNC4=O)C

InChI

InChI=1S/C22H22N4O3/c1-13-18(21(27)25-23-13)20(19-14(2)24-26-22(19)28)16-8-10-17(11-9-16)29-12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)