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

Systemtic Name: 3-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-ethoxy-benzamide Formula: C24H29BrClN3O3 MolecularWeight: 522.86236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl)Br

InChI

InChI=1S/C24H29BrClN3O3/c1-4-32-22-8-5-17(14-19(22)25)24(31)27-18-6-7-21(20(26)15-18)28-9-11-29(12-10-28)23(30)13-16(2)3/h5-8,14-16H,4,9-13H2,1-3H3,(H,27,31)