4-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1-[(3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1-[(3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1-[(3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1-[(3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1-[(3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole Traditional Name: 1-m-anisyl-5-methoxy-4-piperonyl-3-(trifluoromethyl)pyrazole Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O4/c1-27-15-5-3-4-14(8-15)11-26-20(28-2)16(19(25-26)21(22,23)24)9-13-6-7-17-18(10-13)30-12-29-17/h3-8,10H,9,11-12H2,1-2H3