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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4OS/c1-15-7-8-19-20(13-22(29-24(19)16(15)2)17-9-11-28-12-10-17)25(31)30-26-21(14-27)18-5-3-4-6-23(18)32-26/h7-13H,3-6H2,1-2H3,(H,30,31)