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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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