(5S)-5-(4-tert-butylphenyl)-2-[2-(4-ethanoylpiperazin-1-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-5-(4-tert-butylphenyl)-2-[2-(4-ethanoylpiperazin-1-yl)ethyliminomethyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-5-(4-tert-butylphenyl)-3-oxo-cyclohexen-1-olate CAS Name: (5S)-2-[2-(4-acetyl-1-piperazinyl)ethyliminomethyl]-5-(4-tert-butylphenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-5-(4-tert-butylphenyl)-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-acetylpiperazino)ethyliminomethyl]-5-(4-tert-butylphenyl)-3-keto-cyclohexen-1-olate Formula: C25H34N3O3- MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-18(29)28-13-11-27(12-14-28)10-9-26-17-22-23(30)15-20(16-24(22)31)19-5-7-21(8-6-19)25(2,3)4/h5-8,17,20,30H,9-16H2,1-4H3/p-1/t20-/m0/s1