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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C20H23BrCl2N2O2 MolecularWeight: 474.21882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrCl2N2O2/c1-26-18-11-14(15(21)12-19(18)27-2)20(25-8-3-6-24-7-9-25)13-4-5-16(22)17(23)10-13/h4-5,10-12,20,24H,3,6-9H2,1-2H3