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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic 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] 3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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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)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O4/c1-17(2)24(27-22(31)15-20-11-7-5-8-12-20)26(33)34-16-23(32)28-25-18(3)29-30(19(25)4)21-13-9-6-10-14-21/h5-14,17,24H,15-16H2,1-4H3,(H,27,31)(H,28,32)