3-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(4-ethylbenzoyl)piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H24N4O4/c1-2-16-7-9-17(10-8-16)22(30)26-13-11-25(12-14-26)20(28)15-27-23(31)19-6-4-3-5-18(19)21(29)24-27/h3-10H,2,11-15H2,1H3,(H,24,29)