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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-benzamido-3-methyl-butanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-16(2)22(26-23(29)18-10-6-4-7-11-18)24(30)31-15-21-20(14-25)17(3)27-28(21)19-12-8-5-9-13-19/h4-13,16,22H,15H2,1-3H3,(H,26,29)