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

Systemtic Name: 2-bromanyl-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[(1S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-bromo-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[(1S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]benzamide Formula: C23H28BrN3O2 MolecularWeight: 458.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H28BrN3O2/c1-16(2)21(25-22(28)19-9-4-5-10-20(19)24)23(29)27-13-11-26(12-14-27)18-8-6-7-17(3)15-18/h4-10,15-16,21H,11-14H2,1-3H3,(H,25,28)/t21-/m0/s1