1-[(2-bromanyl-4,5-dimethoxy-phenyl)-phenyl-methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-phenyl-methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-phenyl-methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-phenyl-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)N3CCCNCC3)Br)OC

Isomeric SMILES

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

InChI

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