[1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H18N4O3/c1-10-15(11(2)21(4)20-10)19-16(22)12(3)24-17(23)14-7-5-6-13(8-14)9-18/h5-8,12H,1-4H3,(H,19,22)