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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3)C

InChI

InChI=1S/C22H29BrN2O2/c1-15-10-16(2)12-17(11-15)22(25-8-5-6-24-7-9-25)18-13-20(26-3)21(27-4)14-19(18)23/h10-14,22,24H,5-9H2,1-4H3