2-phenyl-6-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]pyrazolo[3,4-d]pyridazin-7-one

Systemtic Name: 2-phenyl-6-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one CAS Name: 6-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-phenyl-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-phenylpyrazolo[3,4-d]pyridazin-7-one Traditional Name: 6-[(4-besylpiperazino)methyl]-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=NN(C=C3C=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=NN(C=C3C=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6O3S/c29-22-21-18(16-27(24-21)19-7-3-1-4-8-19)15-23-28(22)17-25-11-13-26(14-12-25)32(30,31)20-9-5-2-6-10-20/h1-10,15-16H,11-14,17H2