N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-iodanyl-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-iodanyl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-iodo-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-iodobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-iodobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-iodo-benzamide Formula: C21H23ClIN3O2 MolecularWeight: 511.78369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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