2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(3-methoxyphenyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H28N4O2/c1-20-10-12-21(13-11-20)26-24-8-3-4-9-25(24)27(32)31(28-26)19-29-14-16-30(17-15-29)22-6-5-7-23(18-22)33-2/h3-13,18H,14-17,19H2,1-2H3