1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(2-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(2-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=CC=C4Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

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