1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-bromophenyl)methyl]-1,4-diazepane Formula: C27H31BrN2O2 MolecularWeight: 495.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2Br)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2Br)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31BrN2O2/c1-2-31-26-19-22(13-14-25(26)32-20-21-9-4-3-5-10-21)27(23-11-6-7-12-24(23)28)30-17-8-15-29-16-18-30/h3-7,9-14,19,27,29H,2,8,15-18,20H2,1H3