ethyl (2S)-2-cyano-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylimino]propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylimino]propanoate CAS Name: (2S)-2-cyano-3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylimino]propanoate Traditional Name: (2S)-2-cyano-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylimino]propionic acid ethyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=C(N(N=C1C)C2=CC=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=C(N(N=C1C)C2=CC=CC=C2)C)C#N

InChI

InChI=1S/C18H20N4O2/c1-4-24-18(23)15(10-19)11-20-12-17-13(2)21-22(14(17)3)16-8-6-5-7-9-16/h5-9,11,15H,4,12H2,1-3H3/t15-/m1/s1