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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-m-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(=C1)CN2C(=O)C(=C(N2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)C(=C(N2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

InChI

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