4-[[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-oxo-3-phenyl-phthalazine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-3-phenyl-phthalazine-1-carbonyl)piperazino]methyl]benzonitrile Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2/c28-18-20-10-12-21(13-11-20)19-30-14-16-31(17-15-30)27(34)25-23-8-4-5-9-24(23)26(33)32(29-25)22-6-2-1-3-7-22/h1-13H,14-17,19H2