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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H30N4O2 MolecularWeight: 454.5634

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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=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H30N4O2/c1-21-11-13-22(14-12-21)27-23-7-3-4-8-24(23)28(33)32(29-27)20-17-30-15-18-31(19-16-30)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3