3-(3-bromanyl-4-methoxy-phenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C23H28BrNO3/c1-27-19-11-9-18(10-12-19)21-6-4-3-5-15-25(21)23(26)14-8-17-7-13-22(28-2)20(24)16-17/h7,9-13,16,21H,3-6,8,14-15H2,1-2H3