ethyl (2R)-2-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylimino]propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylimino]propanoate Openeye Name: ethyl (2R)-2-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylimino]propanoate CAS Name: (2R)-2-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylimino]propanoate Traditional Name: (2R)-2-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylimino]propionic acid ethyl ester Formula: C22H19FN4O2 MolecularWeight: 390.410263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H19FN4O2/c1-2-29-22(28)17(12-24)13-25-14-18-15-27(20-6-4-3-5-7-20)26-21(18)16-8-10-19(23)11-9-16/h3-11,13,15,17H,2,14H2,1H3/t17-/m0/s1