4-[[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazino]methyl]benzonitrile Formula: C27H23N5O MolecularWeight: 433.50442

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O/c28-17-20-7-9-21(10-8-20)19-31-12-14-32(15-13-31)27(33)24-16-26(22-4-3-11-29-18-22)30-25-6-2-1-5-23(24)25/h1-11,16,18H,12-15,19H2