1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O4 MolecularWeight: 465.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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