N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,8-dimethyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,8-dimethyl-2-(2-pyridyl)cinchoninamide Formula: C26H22N4OS MolecularWeight: 438.54408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

InChI

InChI=1S/C26H22N4OS/c1-15-10-11-18-19(13-22(29-24(18)16(15)2)21-8-5-6-12-28-21)25(31)30-26-20(14-27)17-7-3-4-9-23(17)32-26/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,30,31)