N'-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-(4-bromo-3-methyl-phenyl)oxamide CAS Name: N'-(4-bromo-3-methylphenyl)-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]oxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-(4-bromo-3-methylphenyl)oxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-N'-(4-bromo-3-methyl-phenyl)oxamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)Br

InChI

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