(E)-4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-but-2-enoic acid Formula: C21H18FN3O3 MolecularWeight: 379.384323

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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)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O3/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/h2-12,14H,13H2,1H3,(H,27,28)/b12-11+