1-(azepan-1-yl)-2-[4-(4-chloranyl-3-iodanyl-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-chloranyl-3-iodanyl-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-chloro-3-iodo-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(4-chloro-3-iodophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-chloro-3-iodobenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-chloro-3-iodo-benzoyl)piperazino]ethanone Formula: C19H25ClIN3O2 MolecularWeight: 489.77817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)I

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)I

InChI

InChI=1S/C19H25ClIN3O2/c20-16-6-5-15(13-17(16)21)19(26)24-11-9-22(10-12-24)14-18(25)23-7-3-1-2-4-8-23/h5-6,13H,1-4,7-12,14H2