2-[4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-keto-3H-phthalazin-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19N5O4S/c22-14-15-5-1-4-8-19(15)31(29,30)26-11-9-25(10-12-26)20(27)13-18-16-6-2-3-7-17(16)21(28)24-23-18/h1-8H,9-13H2,(H,24,28)