4-(4-methylphenyl)-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 4-(p-tolyl)-2-[[4-(3-pyridylsulfonyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one Traditional Name: 4-(p-tolyl)-2-[[4-(3-pyridylsulfonyl)piperazino]methyl]phthalazin-1-one Formula: C25H25N5O3S MolecularWeight: 475.5627

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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)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3S/c1-19-8-10-20(11-9-19)24-22-6-2-3-7-23(22)25(31)30(27-24)18-28-13-15-29(16-14-28)34(32,33)21-5-4-12-26-17-21/h2-12,17H,13-16,18H2,1H3