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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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