2-[[2-[4-(4-bromophenyl)carbonylpiperazin-1-yl]ethylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2-[4-(4-bromophenyl)carbonylpiperazin-1-yl]ethylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[2-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]ethylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[2-[4-(4-bromobenzoyl)piperazino]ethylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H28BrN3O3 MolecularWeight: 462.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C(=O)C1)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/h3-6,15,24H,7-14H2,1-2H3