4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(3-pyridylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-[4-(3-pyridylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C18H17N5O4S/c24-17-15-6-2-1-5-14(15)16(20-21-17)18(25)22-8-10-23(11-9-22)28(26,27)13-4-3-7-19-12-13/h1-7,12H,8-11H2,(H,21,24)