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

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]phthalazin-1-one Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]phthalazin-1-one CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-1-phthalazinone IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one Traditional Name: 2-[3-keto-3-(4-piperonylpiperazino)propyl]phthalazin-1-one Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C23H24N4O4/c28-22(7-8-27-23(29)19-4-2-1-3-18(19)14-24-27)26-11-9-25(10-12-26)15-17-5-6-20-21(13-17)31-16-30-20/h1-6,13-14H,7-12,15-16H2