4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[benzyl-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)amino]-4-oxobutanoate IUPAC Name: 4-[benzyl-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobutanoate Traditional Name: 4-[benzyl-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-keto-butyrate Formula: C27H23FN3O3- MolecularWeight: 456.488223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C27H24FN3O3/c28-23-13-11-21(12-14-23)27-22(19-31(29-27)24-9-5-2-6-10-24)18-30(25(32)15-16-26(33)34)17-20-7-3-1-4-8-20/h1-14,19H,15-18H2,(H,33,34)/p-1