2-[4-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[1-oxo-4-(p-tolyl)phthalazin-2-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[1-keto-4-(p-tolyl)phthalazin-2-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C27H25N5O3S/c1-20-10-12-21(13-11-20)26-23-7-3-4-8-24(23)27(33)32(29-26)19-30-14-16-31(17-15-30)36(34,35)25-9-5-2-6-22(25)18-28/h2-13H,14-17,19H2,1H3