1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]-1,4-diazepane Formula: C27H31BrN2O3 MolecularWeight: 511.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3Br)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3Br)N4CCCNCC4

InChI

InChI=1S/C27H31BrN2O3/c1-31-24-17-21(18-25(32-2)27(24)33-19-20-9-4-3-5-10-20)26(22-11-6-7-12-23(22)28)30-15-8-13-29-14-16-30/h3-7,9-12,17-18,26,29H,8,13-16,19H2,1-2H3