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

Systemtic Name: (5S)-2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S)-3-oxo-2-[2-[4-(1-oxohexyl)-1-piperazinyl]ethyliminomethyl]-5-phenyl-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-caproylpiperazino)ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C25H34N3O3- MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-2-3-5-10-25(31)28-15-13-27(14-16-28)12-11-26-19-22-23(29)17-21(18-24(22)30)20-8-6-4-7-9-20/h4,6-9,19,21,29H,2-3,5,10-18H2,1H3/p-1/t21-/m0/s1