2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[(4-piperonylpiperazino)methyl]phthalazin-1-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C21H22N4O3/c26-21-18-4-2-1-3-17(18)12-22-25(21)14-24-9-7-23(8-10-24)13-16-5-6-19-20(11-16)28-15-27-19/h1-6,11-12H,7-10,13-15H2