(2S)-2-bromanyl-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: (2S)-2-bromanyl-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one Openeye Name: (2S)-2-bromo-3-methyl-1-[4-(m-tolyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-bromo-3-methyl-1-[4-(3-methylphenyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-bromo-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one Traditional Name: (2S)-2-bromo-3-methyl-1-[4-(m-tolyl)piperazino]butan-1-one Formula: C16H23BrN2O MolecularWeight: 339.27062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O/c1-12(2)15(17)16(20)19-9-7-18(8-10-19)14-6-4-5-13(3)11-14/h4-6,11-12,15H,7-10H2,1-3H3/t15-/m0/s1