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

Systemtic Name: 7-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(2-pyridyl)cinchoninamide Formula: C25H19ClN4OS MolecularWeight: 458.96256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=N5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=N5)Cl

InChI

InChI=1S/C25H19ClN4OS/c1-14-19(26)10-9-16-17(12-21(29-23(14)16)20-7-4-5-11-28-20)24(31)30-25-18(13-27)15-6-2-3-8-22(15)32-25/h4-5,7,9-12H,2-3,6,8H2,1H3,(H,30,31)