4-[[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-phenyl-4-quinolinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-phenylquinoline-4-carbonyl)piperazino]methyl]benzonitrile Formula: C28H24N4O MolecularWeight: 432.51636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O/c29-19-21-10-12-22(13-11-21)20-31-14-16-32(17-15-31)28(33)25-18-27(23-6-2-1-3-7-23)30-26-9-5-4-8-24(25)26/h1-13,18H,14-17,20H2