(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-ethanoylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-ethanoylpiperazin-1-yl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-yl)-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazinyl)-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazino)-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C16H22BrN3O2 MolecularWeight: 368.26878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O2/c1-11-4-5-15(14(17)10-11)18-16(22)12(2)19-6-8-20(9-7-19)13(3)21/h4-5,10,12H,6-9H2,1-3H3,(H,18,22)/t12-/m0/s1