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

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-keto-2-(4-piperonyloylpiperazino)ethyl]-4-methyl-phthalazin-1-one Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O5/c1-15-17-4-2-3-5-18(17)23(30)27(24-15)13-21(28)25-8-10-26(11-9-25)22(29)16-6-7-19-20(12-16)32-14-31-19/h2-7,12H,8-11,13-14H2,1H3