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

Systemtic Name: methyl 4-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(4-fluorophenyl)-3-(m-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=CC(=C1)C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-15-5-3-6-16(13-15)21-19(22(28)24-12-4-7-20(27)29-2)14-26(25-21)18-10-8-17(23)9-11-18/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,24,28)