1-[5-bromanyl-2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[5-bromanyl-2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[5-bromo-2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[5-bromo-2-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]ethanone IUPAC Name: 1-[5-bromo-2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[5-bromo-2-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]ethanone Formula: C21H25BrN2O3 MolecularWeight: 433.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Br)OCC(CN2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Br)OCC(CN2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25BrN2O3/c1-16(25)20-13-17(22)7-8-21(20)27-15-19(26)14-23-9-11-24(12-10-23)18-5-3-2-4-6-18/h2-8,13,19,26H,9-12,14-15H2,1H3