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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O3/c1-4-28-21-8-6-16(23)14-18(21)22(25-12-5-10-24-11-13-25)19-15-17(26-2)7-9-20(19)27-3/h6-9,14-15,22,24H,4-5,10-13H2,1-3H3