1-[3-(3-chloranyl-4-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one

Systemtic Name: 1-[3-(3-chloranyl-4-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one Openeye Name: 1-[3-(3-chloro-4-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one CAS Name: 1-[3-(3-chloro-4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]-1-propanone IUPAC Name: 1-[3-(3-chloro-4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one Traditional Name: 1-[3-(3-chloro-4-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one Formula: C17H21ClINO MolecularWeight: 417.71221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2CCC(N2C)CC1C3=CC(=C(C=C3)I)Cl

Isomeric SMILES

CCC(=O)C1C2CCC(N2C)CC1C3=CC(=C(C=C3)I)Cl

InChI

InChI=1S/C17H21ClINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3