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

Systemtic Name: 4-[[4-(2-pyridin-4-ylquinolin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-pyridyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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