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

Systemtic Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-m-phenetyl-methyl]-1,4-diazepane Formula: C20H25BrN2O MolecularWeight: 389.3293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O/c1-2-24-19-9-4-7-17(15-19)20(16-6-3-8-18(21)14-16)23-12-5-10-22-11-13-23/h3-4,6-9,14-15,20,22H,2,5,10-13H2,1H3