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

Systemtic Name: 4-(4-methylphenyl)-2-[2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-(4-phenylpiperazino)ethyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-21-11-13-22(14-12-21)26-24-9-5-6-10-25(24)27(32)31(28-26)20-17-29-15-18-30(19-16-29)23-7-3-2-4-8-23/h2-14H,15-20H2,1H3