ethyl 5-(hexanoylamino)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(hexanoylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(hexanoylamino)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(1-oxohexylamino)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(hexanoylamino)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(caproylamino)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H23N3O3/c1-3-5-7-12-16(22)20-17-15(18(23)24-4-2)13-19-21(17)14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,20,22)