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

Systemtic Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C32H26FN3O2S MolecularWeight: 535.631143

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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(=CC=C4)OCC(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(=CC=C4)OCC(C)C)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H26FN3O2S/c1-19(2)18-38-24-8-6-7-22(15-24)29-16-26(25-9-4-5-10-28(25)35-29)31(37)36-32-27(17-34)30(20(3)39-32)21-11-13-23(33)14-12-21/h4-16,19H,18H2,1-3H3,(H,36,37)