[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3/c1-3-7-14(2)20-17(22)13-24-18(23)16-10-19-21(12-16)11-15-8-5-4-6-9-15/h4-6,8-10,12,14H,3,7,11,13H2,1-2H3,(H,20,22)