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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-o-anisyl-4-piperonyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C20H17F3N2O4 MolecularWeight: 406.35519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C(=C(N2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C(=C(N2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17F3N2O4/c1-27-15-5-3-2-4-13(15)10-25-19(26)14(18(24-25)20(21,22)23)8-12-6-7-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3