(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C26H20FN3O3 MolecularWeight: 441.453703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C26H20FN3O3/c27-21-14-11-18(12-15-21)24-20(17-30(29-24)22-9-5-2-6-10-22)13-16-23(31)33-25(26(28)32)19-7-3-1-4-8-19/h1-17,25H,(H2,28,32)/b16-13+