N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(4-isobutylphenyl)cinchoninamide Formula: C34H31N3OS MolecularWeight: 529.69444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C)C

InChI

InChI=1S/C34H31N3OS/c1-5-23-10-16-26(17-11-23)32-22(4)39-34(29(32)20-35)37-33(38)28-19-31(36-30-9-7-6-8-27(28)30)25-14-12-24(13-15-25)18-21(2)3/h6-17,19,21H,5,18H2,1-4H3,(H,37,38)