1-(4-azido-5-iodanyl-2-oxidanyl-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(4-azido-5-iodanyl-2-oxidanyl-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-azido-2-hydroxy-5-iodo-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 1-(4-azido-2-hydroxy-5-iodophenyl)-2-[4-(2,4-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-azido-2-hydroxy-5-iodophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 1-(4-azido-2-hydroxy-5-iodo-phenyl)-2-[4-(2,4-dimethylphenyl)piperazino]ethanone Formula: C20H22IN5O2 MolecularWeight: 491.32545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)C3=CC(=C(C=C3O)N=[N+]=[N-])I)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)C3=CC(=C(C=C3O)N=[N+]=[N-])I)C

InChI

InChI=1S/C20H22IN5O2/c1-13-3-4-18(14(2)9-13)26-7-5-25(6-8-26)12-20(28)15-10-16(21)17(23-24-22)11-19(15)27/h3-4,9-11,27H,5-8,12H2,1-2H3