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methyl 3-[3-azanyl-5-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanoate

methyl 3-[3-azanyl-5-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanoate

Systemtic Name:methyl 3-[3-azanyl-5-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanoate
Openeye Name:methyl 3-[3-amino-5-oxo-2-(2-phenylacetyl)-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanoate
CAS Name:3-[3-amino-5-oxo-2-(1-oxo-2-phenylethyl)-1H-pyrazol-4-yl]-2-cyano-3-phenylpropanoic acid methyl ester
IUPAC Name:methyl 3-[3-amino-5-oxo-2-(2-phenylacetyl)-1H-pyrazol-4-yl]-2-cyano-3-phenylpropanoate
Traditional Name:3-[5-amino-3-keto-1-(2-phenylacetyl)-3-pyrazolin-4-yl]-2-cyano-3-phenyl-propionic acid methyl ester
Formula: C22H20N4O4
MolecularWeight: 404.4186
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C(C1=CC=CC=C1)C2=C(N(NC2=O)C(=O)CC3=CC=CC=C3)N


Isomeric SMILES

COC(=O)C(C#N)C(C1=CC=CC=C1)C2=C(N(NC2=O)C(=O)CC3=CC=CC=C3)N


InChI

InChI=1S/C22H20N4O4/c1-30-22(29)16(13-23)18(15-10-6-3-7-11-15)19-20(24)26(25-21(19)28)17(27)12-14-8-4-2-5-9-14/h2-11,16,18H,12,24H2,1H3,(H,25,28)


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