1-(4-fluorophenyl)-5-[(phenylmethyl)carbamoyl]-4-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-fluorophenyl)-5-[(phenylmethyl)carbamoyl]-4-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-isopropyl-pyrazole-3-carboxylic acid CAS Name: 1-(4-fluorophenyl)-5-[oxo-[(phenylmethyl)amino]methyl]-4-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-isopropyl-pyrazole-3-carboxylic acid Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20FN3O3/c1-13(2)17-18(21(27)28)24-25(16-10-8-15(22)9-11-16)19(17)20(26)23-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,26)(H,27,28)