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

Systemtic Name: (5S)-5-(4-chlorophenyl)-3-oxidanylidene-2-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]cyclohexen-1-olate Openeye Name: (5S)-5-(4-chlorophenyl)-3-oxo-2-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]cyclohexen-1-olate CAS Name: (5S)-5-(4-chlorophenyl)-3-oxo-2-[2-[4-(1-oxopropyl)-1-piperazinyl]ethyliminomethyl]-1-cyclohexenolate IUPAC Name: (5S)-5-(4-chlorophenyl)-3-oxo-2-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]cyclohexen-1-olate Traditional Name: (5S)-5-(4-chlorophenyl)-3-keto-2-[2-(4-propionylpiperazino)ethyliminomethyl]cyclohexen-1-olate Formula: C22H27ClN3O3- MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c1-2-22(29)26-11-9-25(10-12-26)8-7-24-15-19-20(27)13-17(14-21(19)28)16-3-5-18(23)6-4-16/h3-6,15,17,27H,2,7-14H2,1H3/p-1/t17-/m0/s1