[(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-cyanobenzoate Openeye Name: [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2S)-1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H18N4O3/c1-11(2)21-15(7-8-19-21)20-16(22)12(3)24-17(23)14-6-4-5-13(9-14)10-18/h4-9,11-12H,1-3H3,(H,20,22)/t12-/m0/s1