N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(phenylcarbonyl)piperazin-1-yl]propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(phenylcarbonyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzoylpiperazin-1-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]propanamide CAS Name: 2-(4-benzoyl-1-piperazinyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide Traditional Name: 2-(4-benzoylpiperazino)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]propionamide Formula: C23H27BrN4O3 MolecularWeight: 487.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O3/c1-16-14-19(24)8-9-20(16)26-21(29)15-25-22(30)17(2)27-10-12-28(13-11-27)23(31)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,25,30)(H,26,29)