1-[(4-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(4-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(4-bromophenyl)methyl]-1,4-diazepane Formula: C25H27BrN2O MolecularWeight: 451.39868

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H27BrN2O/c26-23-11-7-21(8-12-23)25(28-17-4-15-27-16-18-28)22-9-13-24(14-10-22)29-19-20-5-2-1-3-6-20/h1-3,5-14,25,27H,4,15-19H2