N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]-methyl-amino]acetamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O2/c1-17-14-18(23)8-9-20(17)24-21(28)15-25(2)16-22(29)27-12-10-26(11-13-27)19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,28)