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

Systemtic Name: 5-bromanyl-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-chloro-benzamide CAS Name: 5-bromo-2-chloro-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 5-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-chloro-benzamide Formula: C21H22BrCl2N3O2 MolecularWeight: 499.22828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrCl2N3O2/c1-2-3-20(28)27-10-8-26(9-11-27)19-7-5-15(13-18(19)24)25-21(29)16-12-14(22)4-6-17(16)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,25,29)