2-[2-[4-(4-bromophenyl)carbonylpiperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[2-[4-(4-bromophenyl)carbonylpiperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[2-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]ethyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[2-[4-(4-bromobenzoyl)piperazino]ethyliminomethyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C22H27BrN3O3- MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)[O-])C

InChI

InChI=1S/C22H28BrN3O3/c1-22(2)13-19(27)18(20(28)14-22)15-24-7-8-25-9-11-26(12-10-25)21(29)16-3-5-17(23)6-4-16/h3-6,15,27H,7-14H2,1-2H3/p-1