2-[2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-p-toluoylpiperazino)ethyl]phthalazin-1-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H22N4O3/c1-16-6-8-17(9-7-16)21(28)25-12-10-24(11-13-25)20(27)15-26-22(29)19-5-3-2-4-18(19)14-23-26/h2-9,14H,10-13,15H2,1H3