4-oxidanylidene-3-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

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