(2S)-2-(2-bromanyl-4-methyl-phenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2-bromanyl-4-methyl-phenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(2-bromo-4-methyl-phenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(2-bromo-4-methylphenoxy)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(2-bromo-4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(2-bromo-4-methyl-phenoxy)-1-(4-phenylpiperazino)propan-1-one Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c1-15-8-9-19(18(21)14-15)25-16(2)20(24)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3/t16-/m0/s1