4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-butyric acid Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)CCC(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C21H20FN3O3/c1-24(19(26)11-12-20(27)28)13-16-14-25(18-5-3-2-4-6-18)23-21(16)15-7-9-17(22)10-8-15/h2-10,14H,11-13H2,1H3,(H,27,28)