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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-1H-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-1H-pyrazol-3-one Traditional Name: 2-m-anisyl-5-phenyl-4-piperonyl-3-pyrazolin-3-one Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O4/c1-29-20-9-5-6-18(12-20)15-27-25(28)21(24(26-27)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)31-16-30-22/h2-12,14,26H,13,15-16H2,1H3