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

Systemtic Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-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=C2)Br)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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