1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Br)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Br)N3CCCNCC3

InChI

InChI=1S/C20H25BrN2O2/c1-24-18-9-4-8-17(20(18)25-2)19(15-6-3-7-16(21)14-15)23-12-5-10-22-11-13-23/h3-4,6-9,14,19,22H,5,10-13H2,1-2H3