1-[[2,4-bis(fluoranyl)phenyl]-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane Formula: C20H23BrF2N2O2 MolecularWeight: 441.309626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3)Br)OC

InChI

InChI=1S/C20H23BrF2N2O2/c1-26-18-11-15(16(21)12-19(18)27-2)20(25-8-3-6-24-7-9-25)14-5-4-13(22)10-17(14)23/h4-5,10-12,20,24H,3,6-9H2,1-2H3