(5S)-2-[2-(4-ethanoylpiperazin-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-2-[2-(4-ethanoylpiperazin-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)-3-oxo-cyclohexen-1-olate CAS Name: (5S)-2-[2-(4-acetyl-1-piperazinyl)ethyliminomethyl]-5-(4-fluorophenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-acetylpiperazino)ethyliminomethyl]-5-(4-fluorophenyl)-3-keto-cyclohexen-1-olate Formula: C21H25FN3O3- MolecularWeight: 386.439903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCN=CC2=C(CC(CC2=O)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)CCN=CC2=C(C[C@@H](CC2=O)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C21H26FN3O3/c1-15(26)25-10-8-24(9-11-25)7-6-23-14-19-20(27)12-17(13-21(19)28)16-2-4-18(22)5-3-16/h2-5,14,17,27H,6-13H2,1H3/p-1/t17-/m0/s1