1-(4-bromanyl-3-methoxy-phenyl)-4-[1-(3-fluoranyl-4-methoxy-phenyl)propyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)-4-[1-(3-fluoranyl-4-methoxy-phenyl)propyl]-1,4-diazepane Openeye Name: 1-(4-bromo-3-methoxy-phenyl)-4-[1-(3-fluoro-4-methoxy-phenyl)propyl]-1,4-diazepane CAS Name: 1-(4-bromo-3-methoxyphenyl)-4-[1-(3-fluoro-4-methoxyphenyl)propyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-3-methoxyphenyl)-4-[1-(3-fluoro-4-methoxyphenyl)propyl]-1,4-diazepane Traditional Name: 1-(4-bromo-3-methoxy-phenyl)-4-[1-(3-fluoro-4-methoxy-phenyl)propyl]-1,4-diazepane Formula: C22H28BrFN2O2 MolecularWeight: 451.372323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)OC)F)N2CCCN(CC2)C3=CC(=C(C=C3)Br)OC

Isomeric SMILES

CCC(C1=CC(=C(C=C1)OC)F)N2CCCN(CC2)C3=CC(=C(C=C3)Br)OC

InChI

InChI=1S/C22H28BrFN2O2/c1-4-20(16-6-9-21(27-2)19(24)14-16)26-11-5-10-25(12-13-26)17-7-8-18(23)22(15-17)28-3/h6-9,14-15,20H,4-5,10-13H2,1-3H3