3-[4-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-piperonylphenyl)piperazino]-1H-pyridazin-6-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CC3=CC4=C(C=C3)OCO4)C5=NNC(=O)C=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CC3=CC4=C(C=C3)OCO4)C5=NNC(=O)C=C5

InChI

InChI=1S/C22H22N4O3/c27-22-8-7-21(23-24-22)26-11-9-25(10-12-26)18-4-1-16(2-5-18)13-17-3-6-19-20(14-17)29-15-28-19/h1-8,14H,9-13,15H2,(H,24,27)