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

Systemtic Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]-2-(4-isobutylphenyl)cinchoninamide Formula: C32H26FN3OS MolecularWeight: 519.631743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C#N)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H26FN3OS/c1-19(2)16-21-8-10-22(11-9-21)29-17-26(25-6-4-5-7-28(25)35-29)31(37)36-32-27(18-34)30(20(3)38-32)23-12-14-24(33)15-13-23/h4-15,17,19H,16H2,1-3H3,(H,36,37)