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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)cinchoninamide Formula: C25H23N5OS MolecularWeight: 441.54802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C25H23N5OS/c1-3-30-14-20(15(2)29-30)22-12-18(16-8-4-6-10-21(16)27-22)24(31)28-25-19(13-26)17-9-5-7-11-23(17)32-25/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H,28,31)