(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[(2-phenylacetyl)amino]butyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O3/c1-17(2)24(27-23(30)14-19-10-6-4-7-11-19)25(31)32-16-22-21(15-26)18(3)28-29(22)20-12-8-5-9-13-20/h4-13,17,24H,14,16H2,1-3H3,(H,27,30)