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

Systemtic Name: 3-[[4-(8-thiophen-2-ylquinolin-2-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[8-(2-thienyl)-2-quinolyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(8-thiophen-2-yl-2-quinolinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(8-thiophen-2-ylquinolin-2-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[8-(2-thienyl)-2-quinolyl]piperazino]methyl]benzonitrile Formula: C25H22N4S MolecularWeight: 410.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=CS5)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=CS5)C=C3

InChI

InChI=1S/C25H22N4S/c26-17-19-4-1-5-20(16-19)18-28-11-13-29(14-12-28)24-10-9-21-6-2-7-22(25(21)27-24)23-8-3-15-30-23/h1-10,15-16H,11-14,18H2