methyl 4-[[[1-(4-fluorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(4-fluorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-fluorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(4-fluorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(4-fluorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

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