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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C20H23BrCl2N2O MolecularWeight: 458.21942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCNCC3

InChI

InChI=1S/C20H23BrCl2N2O/c1-2-26-19-7-5-15(21)13-16(19)20(25-10-3-8-24-9-11-25)14-4-6-17(22)18(23)12-14/h4-7,12-13,20,24H,2-3,8-11H2,1H3