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

Systemtic Name: (5S)-3-oxidanylidene-5-phenyl-2-[2-[4-(2-phenylethanoyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Openeye Name: (5S)-3-oxo-5-phenyl-2-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate CAS Name: (5S)-3-oxo-2-[2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]ethyliminomethyl]-5-phenyl-1-cyclohexenolate IUPAC Name: (5S)-3-oxo-5-phenyl-2-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Traditional Name: (5S)-3-keto-5-phenyl-2-[2-[4-(2-phenylacetyl)piperazino]ethyliminomethyl]cyclohexen-1-olate Formula: C27H30N3O3- MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN=CC2=C(CC(CC2=O)C3=CC=CC=C3)[O-])C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCN=CC2=C(C[C@@H](CC2=O)C3=CC=CC=C3)[O-])C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c31-25-18-23(22-9-5-2-6-10-22)19-26(32)24(25)20-28-11-12-29-13-15-30(16-14-29)27(33)17-21-7-3-1-4-8-21/h1-10,20,23,31H,11-19H2/p-1/t23-/m0/s1