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

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-iodanyl-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-iodo-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-iodobenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-iodobenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-3-iodo-benzamide Formula: C21H23ClIN3O2 MolecularWeight: 511.78369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C21H23ClIN3O2/c1-14(2)21(28)26-11-9-25(10-12-26)19-17(22)7-4-8-18(19)24-20(27)15-5-3-6-16(23)13-15/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)