(5S)-2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate

Systemtic Name: (5S)-2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5S)-2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S)-2-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]ethyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5S)-2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-isobutyrylpiperazino)ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C23H30N3O3- MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-17(2)23(29)26-12-10-25(11-13-26)9-8-24-16-20-21(27)14-19(15-22(20)28)18-6-4-3-5-7-18/h3-7,16-17,19,27H,8-15H2,1-2H3/p-1/t19-/m0/s1