5-[[(4-bromophenyl)amino]-(4-methylpiperazin-1-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[(4-bromophenyl)amino]-(4-methylpiperazin-1-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(4-bromoanilino)-(4-methylpiperazin-1-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(4-bromoanilino)-(4-methyl-1-piperazinyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(4-bromoanilino)-(4-methylpiperazin-1-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(4-bromoanilino)-(4-methylpiperazino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C18H22BrN3O4 MolecularWeight: 424.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NC2=CC=C(C=C2)Br)N3CCN(CC3)C)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NC2=CC=C(C=C2)Br)N3CCN(CC3)C)C(=O)O1)C

InChI

InChI=1S/C18H22BrN3O4/c1-18(2)25-16(23)14(17(24)26-18)15(22-10-8-21(3)9-11-22)20-13-6-4-12(19)5-7-13/h4-7,20H,8-11H2,1-3H3