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

Systemtic Name: 4-[[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazino]methyl]benzonitrile Formula: C26H22N4OS MolecularWeight: 438.54408

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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=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H22N4OS/c27-17-19-7-9-20(10-8-19)18-29-11-13-30(14-12-29)26(31)22-16-24(25-6-3-15-32-25)28-23-5-2-1-4-21(22)23/h1-10,15-16H,11-14,18H2