[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O4/c1-16(2)22(27-24(31)19-11-7-5-8-12-19)25(32)33-15-21(30)26-23-17(3)28-29(18(23)4)20-13-9-6-10-14-20/h5-14,16,22H,15H2,1-4H3,(H,26,30)(H,27,31)