3-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-(4-benzylpiperazino)sulfonylphenyl]-2H-phthalazine-1,4-quinone Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H24N4O4S/c30-24-22-8-4-5-9-23(22)25(31)29(26-24)20-10-12-21(13-11-20)34(32,33)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,30)