1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Formula: C20H24BrFN2O2 MolecularWeight: 423.319163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrFN2O2/c1-25-18-12-16(17(21)13-19(18)26-2)20(14-5-3-6-15(22)11-14)24-9-4-7-23-8-10-24/h3,5-6,11-13,20,23H,4,7-10H2,1-2H3