[4-(5-acetyloxy-4-butyl-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] ethanoate

Systemtic Name: [4-(5-acetyloxy-4-butyl-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] ethanoate Openeye Name: [4-(5-acetoxy-4-butyl-3-oxo-2-phenyl-pyrazol-1-yl)phenyl] acetate CAS Name: acetic acid [4-(5-acetyloxy-4-butyl-3-oxo-2-phenyl-1-pyrazolyl)phenyl] ester IUPAC Name: [4-(5-acetyloxy-4-butyl-3-oxo-2-phenylpyrazol-1-yl)phenyl] acetate Traditional Name: acetic acid [4-(5-acetoxy-4-butyl-3-keto-2-phenyl-3-pyrazolin-1-yl)phenyl] ester Formula: C23H24N2O5 MolecularWeight: 408.44706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5/c1-4-5-11-21-22(28)24(18-9-7-6-8-10-18)25(23(21)30-17(3)27)19-12-14-20(15-13-19)29-16(2)26/h6-10,12-15H,4-5,11H2,1-3H3