3-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole Traditional Name: 1-phenyl-5-piperonyl-3-(3,4,5-trimethoxyphenyl)-2-pyrazoline Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(C2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(C2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O5/c1-29-24-13-18(14-25(30-2)26(24)31-3)21-15-20(28(27-21)19-7-5-4-6-8-19)11-17-9-10-22-23(12-17)33-16-32-22/h4-10,12-14,20H,11,15-16H2,1-3H3