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

Systemtic Name: ethyl 3-[3-azanyl-5-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-2-31-23(30)17(14-24)19(16-11-7-4-8-12-16)20-21(25)27(26-22(20)29)18(28)13-15-9-5-3-6-10-15/h3-12,17,19H,2,13,25H2,1H3,(H,26,29)