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

Systemtic Name: 1-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C18H27IN2O MolecularWeight: 414.32425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCN(CC1)CC2=CC(=CC=C2)I

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)CC2=CC(=CC=C2)I

InChI

InChI=1S/C18H27IN2O/c1-18(2,3)13-17(22)21-9-5-8-20(10-11-21)14-15-6-4-7-16(19)12-15/h4,6-7,12H,5,8-11,13-14H2,1-3H3