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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-m-anisyl-5-methyl-4-piperonyl-3-pyrazolin-3-one Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CC2=CC(=CC=C2)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1)CC2=CC(=CC=C2)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4/c1-13-17(9-14-6-7-18-19(10-14)26-12-25-18)20(23)22(21-13)11-15-4-3-5-16(8-15)24-2/h3-8,10,21H,9,11-12H2,1-2H3