azepan-1-yl-(2-bromanyl-3,4,5-trimethoxy-phenyl)methanone

Systemtic Name: azepan-1-yl-(2-bromanyl-3,4,5-trimethoxy-phenyl)methanone Openeye Name: azepan-1-yl-(2-bromo-3,4,5-trimethoxy-phenyl)methanone CAS Name: 1-azepanyl-(2-bromo-3,4,5-trimethoxyphenyl)methanone IUPAC Name: azepan-1-yl-(2-bromo-3,4,5-trimethoxyphenyl)methanone Traditional Name: azepan-1-yl-(2-bromo-3,4,5-trimethoxy-phenyl)methanone Formula: C16H22BrNO4 MolecularWeight: 372.25418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCCCCC2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCCCCC2)Br)OC)OC

InChI

InChI=1S/C16H22BrNO4/c1-20-12-10-11(13(17)15(22-3)14(12)21-2)16(19)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3