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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O4/c1-16-18-4-2-3-5-19(18)23(29)27(24-16)14-22(28)26-10-8-25(9-11-26)13-17-6-7-20-21(12-17)31-15-30-20/h2-7,12H,8-11,13-15H2,1H3