3-bromanyl-N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 3-bromanyl-N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3-bromo-N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3-bromo-N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-bromo-N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3-bromo-N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]benzamide Formula: C22H25BrClN3O2 MolecularWeight: 478.8098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrClN3O2/c1-15(2)12-21(28)27-10-8-26(9-11-27)20-7-6-18(24)14-19(20)25-22(29)16-4-3-5-17(23)13-16/h3-7,13-15H,8-12H2,1-2H3,(H,25,29)