[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)F

InChI

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