N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxidanylidene-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxidanylidene-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxo-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxobutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxobutanamide Traditional Name: 4-keto-4-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-N-methyl-N-piperonyl-butyramide Formula: C29H29N3O5 MolecularWeight: 499.55766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H29N3O5/c1-31(18-20-8-13-26-27(16-20)37-19-36-26)28(33)14-15-29(34)32-25(22-9-11-23(35-2)12-10-22)17-24(30-32)21-6-4-3-5-7-21/h3-13,16,25H,14-15,17-19H2,1-2H3