2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-isoamyl-cinchoninamide Formula: C25H25FN4O MolecularWeight: 416.490603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C25H25FN4O/c1-16(2)12-13-27-25(31)21-14-24(29-23-7-5-4-6-20(21)23)22-15-28-30(17(22)3)19-10-8-18(26)9-11-19/h4-11,14-16H,12-13H2,1-3H3,(H,27,31)