[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N4O3/c1-13(2)22-16(9-10-20-22)21-17(23)12-25-18(24)8-7-14-3-5-15(11-19)6-4-14/h3-6,9-10,13H,7-8,12H2,1-2H3,(H,21,23)