[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic 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] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O3/c1-13(2)19(4,12-20)22-17(24)14(3)26-18(25)15-10-21-23(11-15)16-8-6-5-7-9-16/h5-11,13-14H,1-4H3,(H,22,24)