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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H25ClN4O MolecularWeight: 444.9559

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN4O/c1-19-9-11-20(12-10-19)25-23-7-2-3-8-24(23)26(32)31(28-25)18-29-13-15-30(16-14-29)22-6-4-5-21(27)17-22/h2-12,17H,13-16,18H2,1H3