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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H26BrClN2O3 MolecularWeight: 469.79974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

InChI

InChI=1S/C21H26BrClN2O3/c1-26-18-6-5-14(23)11-16(18)21(25-9-4-7-24-8-10-25)15-12-19(27-2)20(28-3)13-17(15)22/h5-6,11-13,21,24H,4,7-10H2,1-3H3