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

Systemtic Name: (5S)-2-[2-(4-ethanoylpiperazin-1-yl)ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S)-2-[2-(4-acetyl-1-piperazinyl)ethyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-acetylpiperazino)ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C21H26N3O3- MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-16(25)24-11-9-23(10-12-24)8-7-22-15-19-20(26)13-18(14-21(19)27)17-5-3-2-4-6-17/h2-6,15,18,26H,7-14H2,1H3/p-1/t18-/m0/s1