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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

InChI

InChI=1S/C21H27BrN2O2/c1-15-5-7-16(8-6-15)21(24-11-4-9-23-10-12-24)17-13-19(25-2)20(26-3)14-18(17)22/h5-8,13-14,21,23H,4,9-12H2,1-3H3