2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(1-thiophen-2-ylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(1-thiophen-2-ylbutyl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-[1-(2-thienyl)butyl]quinoline-4-carboxamide CAS Name: 2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-N-(1-thiophen-2-ylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(1-thiophen-2-ylbutyl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-[1-(2-thienyl)butyl]cinchoninamide Formula: C28H25FN4OS MolecularWeight: 484.587703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)F)C

Isomeric SMILES

CCCC(C1=CC=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C28H25FN4OS/c1-3-7-25(27-10-6-15-35-27)32-28(34)22-16-26(31-24-9-5-4-8-21(22)24)23-17-30-33(18(23)2)20-13-11-19(29)12-14-20/h4-6,8-17,25H,3,7H2,1-2H3,(H,32,34)