3-[[4-(8-pyridin-4-ylquinolin-2-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(8-pyridin-4-ylquinolin-2-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[8-(4-pyridyl)-2-quinolyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(8-pyridin-4-yl-2-quinolinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(8-pyridin-4-ylquinolin-2-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[8-(4-pyridyl)-2-quinolyl]piperazino]methyl]benzonitrile Formula: C26H23N5 MolecularWeight: 405.49432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=NC=C5)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=NC=C5)C=C3

InChI

InChI=1S/C26H23N5/c27-18-20-3-1-4-21(17-20)19-30-13-15-31(16-14-30)25-8-7-23-5-2-6-24(26(23)29-25)22-9-11-28-12-10-22/h1-12,17H,13-16,19H2