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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=N5

InChI

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