(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-ethylpiperazine-1-carboxylate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-ethylpiperazine-1-carboxylate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 4-ethylpiperazine-1-carboxylate CAS Name: 4-ethyl-1-piperazinecarboxylic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-ethylpiperazine-1-carboxylate Traditional Name: 4-ethylpiperazine-1-carboxylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C26H32N4O3 MolecularWeight: 448.55728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)N4CCN(CC4)CC

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)N4CCN(CC4)CC

InChI

InChI=1S/C26H32N4O3/c1-3-5-16-23-24(31)29(21-12-8-6-9-13-21)30(22-14-10-7-11-15-22)25(23)33-26(32)28-19-17-27(4-2)18-20-28/h6-15H,3-5,16-20H2,1-2H3