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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O4 MolecularWeight: 465.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3)OC

InChI

InChI=1S/C22H29BrN2O4/c1-26-18-7-6-15(12-19(18)27-2)22(25-10-5-8-24-9-11-25)16-13-20(28-3)21(29-4)14-17(16)23/h6-7,12-14,22,24H,5,8-11H2,1-4H3