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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]-N-(4-bromo-2-methyl-phenyl)propanamide CAS Name: 2-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-N-(4-bromo-2-methylphenyl)propanamide IUPAC Name: 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(4-bromo-2-methylphenyl)propanamide Traditional Name: 2-[4-(2-anilino-2-keto-ethyl)piperazino]-N-(4-bromo-2-methyl-phenyl)propionamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

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