[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H21ClN4O4/c1-3-9-20-18(26)21-14(24)11-27-17(25)15-12(2)22-23(16(15)19)10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H2,20,21,24,26)