2-(4-fluorophenyl)-N5-[4-(3-methylbutanoylamino)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: 2-(4-fluorophenyl)-N5-[4-(3-methylbutanoylamino)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: 2-(4-fluorophenyl)-N5-[4-(3-methylbutanoylamino)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: 2-(4-fluorophenyl)-N5-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-N-[4-(3-methylbutanoylamino)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: 1-(4-fluorophenyl)-N-[4-(isovalerylamino)phenyl]-2-pyrazoline-3,5-dicarboxamide Formula: C22H24FN5O3 MolecularWeight: 425.456063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN5O3/c1-13(2)11-20(29)25-15-5-7-16(8-6-15)26-22(31)18-12-19(21(24)30)28(27-18)17-9-3-14(23)4-10-17/h3-10,13,19H,11-12H2,1-2H3,(H2,24,30)(H,25,29)(H,26,31)