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

Systemtic Name: (5S)-5-(4-methylphenyl)-3-oxidanylidene-2-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]cyclohexen-1-olate Openeye Name: (5S)-3-oxo-2-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]-5-(p-tolyl)cyclohexen-1-olate CAS Name: (5S)-5-(4-methylphenyl)-3-oxo-2-[2-[4-(1-oxopropyl)-1-piperazinyl]ethyliminomethyl]-1-cyclohexenolate IUPAC Name: (5S)-5-(4-methylphenyl)-3-oxo-2-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]cyclohexen-1-olate Traditional Name: (5S)-3-keto-2-[2-(4-propionylpiperazino)ethyliminomethyl]-5-(p-tolyl)cyclohexen-1-olate Formula: C23H30N3O3- MolecularWeight: 396.5026

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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)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-3-23(29)26-12-10-25(11-13-26)9-8-24-16-20-21(27)14-19(15-22(20)28)18-6-4-17(2)5-7-18/h4-7,16,19,27H,3,8-15H2,1-2H3/p-1/t19-/m0/s1