N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-iodanyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-iodanyl-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-iodo-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-iodobenzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3-iodobenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-3-iodo-benzamide Formula: C22H25ClIN3O2 MolecularWeight: 525.81027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClIN3O2/c1-22(2,3)21(29)27-11-9-26(10-12-27)19-8-7-17(14-18(19)23)25-20(28)15-5-4-6-16(24)13-15/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)