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

Systemtic Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(3-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(3-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=C4)Br

Isomeric SMILES

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

InChI

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