1-[4-[(3-iodanylphenyl)methyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[(3-iodanylphenyl)methyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[(3-iodophenyl)methyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[(3-iodophenyl)methyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[(3-iodophenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(3-iodobenzyl)piperazino]-3,3-dimethyl-butan-1-one Formula: C17H25IN2O MolecularWeight: 400.29767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)I

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)I

InChI

InChI=1S/C17H25IN2O/c1-17(2,3)12-16(21)20-9-7-19(8-10-20)13-14-5-4-6-15(18)11-14/h4-6,11H,7-10,12-13H2,1-3H3