[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C18H28N4O3/c1-11(2)18(6,10-19)20-17(24)14(5)25-16(23)9-8-15-12(3)21-22(7)13(15)4/h11,14H,8-9H2,1-7H3,(H,20,24)