methyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3/c1-15-5-7-16(8-6-15)21-19(22(28)24-13-3-4-20(27)29-2)14-26(25-21)18-11-9-17(23)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,24,28)