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

Systemtic Name: 4-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-20-11-13-21(14-12-20)26-23-9-5-6-10-24(23)27(33)31(28-26)19-25(32)30-17-15-29(16-18-30)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3