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

Systemtic Name: (5S)-5-(4-chlorophenyl)-2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-5-(4-chlorophenyl)-2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-oxo-cyclohexen-1-olate CAS Name: (5S)-5-(4-chlorophenyl)-3-oxo-2-[2-[4-(1-oxohexyl)-1-piperazinyl]ethyliminomethyl]-1-cyclohexenolate IUPAC Name: (5S)-5-(4-chlorophenyl)-2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-caproylpiperazino)ethyliminomethyl]-5-(4-chlorophenyl)-3-keto-cyclohexen-1-olate Formula: C25H33ClN3O3- MolecularWeight: 459.00082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O3/c1-2-3-4-5-25(32)29-14-12-28(13-15-29)11-10-27-18-22-23(30)16-20(17-24(22)31)19-6-8-21(26)9-7-19/h6-9,18,20,30H,2-5,10-17H2,1H3/p-1/t20-/m0/s1