N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-(2-thienyl)cinchoninamide Formula: C23H18N4OS MolecularWeight: 398.48022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C23H18N4OS/c24-10-5-12-27(16-17-6-3-11-25-15-17)23(28)19-14-21(22-9-4-13-29-22)26-20-8-2-1-7-18(19)20/h1-4,6-9,11,13-15H,5,12,16H2