1-[4-[4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(4-bromo-3,5-dimethoxy-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-bromo-3,5-dimethoxy-benzoyl)piperazino]phenyl]ethanone Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C21H23BrN2O4/c1-14(25)15-4-6-17(7-5-15)23-8-10-24(11-9-23)21(26)16-12-18(27-2)20(22)19(13-16)28-3/h4-7,12-13H,8-11H2,1-3H3