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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C26H22N4OS/c1-2-16-10-11-18-20(15-27)26(32-24(18)13-16)30-25(31)19-14-23(22-9-5-6-12-28-22)29-21-8-4-3-7-17(19)21/h3-9,12,14,16H,2,10-11,13H2,1H3,(H,30,31)