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

Systemtic Name: 3-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-methoxy-benzamide Formula: C23H27BrClN3O3 MolecularWeight: 508.83578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrClN3O3/c1-15(2)12-22(29)28-10-8-27(9-11-28)20-6-5-17(14-19(20)25)26-23(30)16-4-7-21(31-3)18(24)13-16/h4-7,13-15H,8-12H2,1-3H3,(H,26,30)