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

Systemtic Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)Br)N3CCCNCC3)OC

Isomeric SMILES

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

InChI

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