[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic 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] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C20H24N4O3/c1-13(2)20(5,12-21)23-18(25)15(4)27-19(26)16-6-8-17(9-7-16)24-14(3)10-11-22-24/h6-11,13,15H,1-5H3,(H,23,25)