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

Systemtic Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C34H31N3O2S MolecularWeight: 545.69384

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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(=CC=C5)OCC(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(=CC=C5)OCC(C)C)C

InChI

InChI=1S/C34H31N3O2S/c1-5-23-13-15-24(16-14-23)32-22(4)40-34(29(32)19-35)37-33(38)28-18-31(36-30-12-7-6-11-27(28)30)25-9-8-10-26(17-25)39-20-21(2)3/h6-18,21H,5,20H2,1-4H3,(H,37,38)