2-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-benzyl-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-benzyl-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 4-benzyl-2-m-anisyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C19H17F3N2O2 MolecularWeight: 362.34569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=O)C(=C(N2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)C(=C(N2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H17F3N2O2/c1-26-15-9-5-8-14(10-15)12-24-18(25)16(17(23-24)19(20,21)22)11-13-6-3-2-4-7-13/h2-10,23H,11-12H2,1H3