1-[4-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(3-bromo-2,5-dimethoxy-benzoyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(3-bromo-2,5-dimethoxy-benzoyl)piperazino]-3-methyl-butan-1-one Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC(=C2OC)Br)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC(=C2OC)Br)OC

InChI

InChI=1S/C18H25BrN2O4/c1-12(2)9-16(22)20-5-7-21(8-6-20)18(23)14-10-13(24-3)11-15(19)17(14)25-4/h10-12H,5-9H2,1-4H3