1-[(5-bromanyl-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O MolecularWeight: 417.38246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=CC(=C2)C)C)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=CC(=C2)C)C)N3CCCNCC3

InChI

InChI=1S/C22H29BrN2O/c1-4-26-21-7-6-19(23)15-20(21)22(25-10-5-8-24-9-11-25)18-13-16(2)12-17(3)14-18/h6-7,12-15,22,24H,4-5,8-11H2,1-3H3