azepan-1-yl-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methanone

Systemtic Name: azepan-1-yl-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methanone Openeye Name: azepan-1-yl-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methanone CAS Name: 1-azepanyl-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanone IUPAC Name: azepan-1-yl-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanone Traditional Name: azepan-1-yl-(4-benzoxy-3-bromo-5-methoxy-phenyl)methanone Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrNO3/c1-25-19-14-17(21(24)23-11-7-2-3-8-12-23)13-18(22)20(19)26-15-16-9-5-4-6-10-16/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3