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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCNCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCNCC3)OC

InChI

InChI=1S/C20H25BrN2O2/c1-24-18-9-6-16(14-19(18)25-2)20(15-4-7-17(21)8-5-15)23-12-3-10-22-11-13-23/h4-9,14,20,22H,3,10-13H2,1-2H3