tert-butyl N-[1-[(3-iodanylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(3-iodanylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-iodophenyl)methyl]-2-oxo-azepan-3-yl]carbamate CAS Name: N-[1-[(3-iodophenyl)methyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(3-iodophenyl)methyl]-2-oxoazepan-3-yl]carbamate Traditional Name: N-[1-(3-iodobenzyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C18H25IN2O3 MolecularWeight: 444.30717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)I

InChI

InChI=1S/C18H25IN2O3/c1-18(2,3)24-17(23)20-15-9-4-5-10-21(16(15)22)12-13-7-6-8-14(19)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,20,23)