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

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

Isomeric SMILES

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

InChI

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