4-[4-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methyl-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-benzylpiperazino)sulfonyl-4-methyl-phenyl]-2H-phthalazin-1-one Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S/c1-19-11-12-21(25-22-9-5-6-10-23(22)26(31)28-27-25)17-24(19)34(32,33)30-15-13-29(14-16-30)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,28,31)