1-[(2-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(2-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

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

InChI

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