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

Systemtic Name: methyl 1-(4-fluorophenyl)-5-[(phenylmethyl)carbamoyl]-4-propan-2-yl-pyrazole-3-carboxylate Openeye Name: methyl 5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-isopropyl-pyrazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-[oxo-[(phenylmethyl)amino]methyl]-4-propan-2-yl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-propan-2-ylpyrazole-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-1-(4-fluorophenyl)-4-isopropyl-pyrazole-3-carboxylic acid methyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-14(2)18-19(22(28)29-3)25-26(17-11-9-16(23)10-12-17)20(18)21(27)24-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,24,27)