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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C26H29BrN2O2 MolecularWeight: 481.42466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4)Br)OC

InChI

InChI=1S/C26H29BrN2O2/c1-30-24-17-22(23(27)18-25(24)31-2)26(29-15-6-13-28-14-16-29)21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-12,17-18,26,28H,6,13-16H2,1-2H3