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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(4-pyridyl)cinchoninamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=NC=C5

InChI

InChI=1S/C25H20N4OS/c1-15-5-4-7-18-19(13-21(28-23(15)18)16-9-11-27-12-10-16)24(30)29-25-20(14-26)17-6-2-3-8-22(17)31-25/h4-5,7,9-13H,2-3,6,8H2,1H3,(H,29,30)