[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H26N4O3/c1-12(2)10-21-14(4)15(13(3)20-21)6-7-17(23)24-11-16(22)19-9-5-8-18/h12H,5-7,9-11H2,1-4H3,(H,19,22)