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

Systemtic Name: (5S)-2-[2-(4-ethanoylpiperazin-1-yl)ethyliminomethyl]-5-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-3-oxo-5-(p-tolyl)cyclohexen-1-olate CAS Name: (5S)-2-[2-(4-acetyl-1-piperazinyl)ethyliminomethyl]-5-(4-methylphenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-5-(4-methylphenyl)-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-acetylpiperazino)ethyliminomethyl]-3-keto-5-(p-tolyl)cyclohexen-1-olate Formula: C22H28N3O3- MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C=NCCN3CCN(CC3)C(=O)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=C(C(=O)C2)C=NCCN3CCN(CC3)C(=O)C)[O-]

InChI

InChI=1S/C22H29N3O3/c1-16-3-5-18(6-4-16)19-13-21(27)20(22(28)14-19)15-23-7-8-24-9-11-25(12-10-24)17(2)26/h3-6,15,19,27H,7-14H2,1-2H3/p-1/t19-/m0/s1