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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)F)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C32H26FN3O2S/c1-3-4-16-38-24-9-7-8-22(17-24)29-18-26(25-10-5-6-11-28(25)35-29)31(37)36-32-27(19-34)30(20(2)39-32)21-12-14-23(33)15-13-21/h5-15,17-18H,3-4,16H2,1-2H3,(H,36,37)