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

Systemtic Name: 2-chloranyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-5-iodo-benzamide Formula: C22H24Cl2IN3O2 MolecularWeight: 560.25533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2IN3O2/c1-14(2)11-21(29)28-9-7-27(8-10-28)20-6-4-16(13-19(20)24)26-22(30)17-12-15(25)3-5-18(17)23/h3-6,12-14H,7-11H2,1-2H3,(H,26,30)