1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-bromophenyl)methyl]-1,4-diazepane Formula: C26H29BrN2O2 MolecularWeight: 481.42466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29BrN2O2/c1-30-25-18-22(10-13-24(25)31-19-20-6-3-2-4-7-20)26(21-8-11-23(27)12-9-21)29-16-5-14-28-15-17-29/h2-4,6-13,18,26,28H,5,14-17,19H2,1H3