[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylbenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C17H21N3O3/c1-11(2)20-15(9-10-18-20)19-16(21)13(4)23-17(22)14-7-5-12(3)6-8-14/h5-11,13H,1-4H3,(H,19,21)