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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C19H22N4O3/c1-12-16(13(2)23(4)22-12)9-10-18(24)26-14(3)19(25)21-17-8-6-5-7-15(17)11-20/h5-8,14H,9-10H2,1-4H3,(H,21,25)