N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]acetamide IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN4O2/c1-17-13-19(23)7-8-20(17)25-21(28)14-24-22(29)16-27-11-9-26(10-12-27)15-18-5-3-2-4-6-18/h2-8,13H,9-12,14-16H2,1H3,(H,24,29)(H,25,28)