2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-(5-phenyl-2-pyrazolin-1-yl)-2-(4-piperonylpiperazino)ethanone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C(CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C(CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O3/c28-23(27-20(8-9-24-27)19-4-2-1-3-5-19)16-26-12-10-25(11-13-26)15-18-6-7-21-22(14-18)30-17-29-21/h1-7,9,14,20H,8,10-13,15-17H2