ethyl 5-[methyl(propylcarbamoyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[methyl(propylcarbamoyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-[methyl(propylcarbamoyl)amino]pyrazole-4-carboxylate CAS Name: 5-[methyl-[oxo(propylamino)methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[methyl(propylcarbamoyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-5-[methyl(propylcarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N(C)C1=C(C=NN1CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCNC(=O)N(C)C1=C(C=NN1CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H24N4O3/c1-4-11-19-18(24)21(3)16-15(17(23)25-5-2)12-20-22(16)13-14-9-7-6-8-10-14/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,24)