propan-2-yl 4-[(3-cyanophenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[(3-cyanophenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(3-cyanobenzoyl)amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(3-cyanophenyl)-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-cyanobenzoyl)amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(3-cyanobenzoyl)amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H18N4O3/c1-4-21-10-14(15(20-21)17(23)24-11(2)3)19-16(22)13-7-5-6-12(8-13)9-18/h5-8,10-11H,4H2,1-3H3,(H,19,22)