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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

InChI

InChI=1S/C22H29BrN2O4/c1-26-18-8-5-7-15(22(18)29-4)21(25-11-6-9-24-10-12-25)16-13-19(27-2)20(28-3)14-17(16)23/h5,7-8,13-14,21,24H,6,9-12H2,1-4H3