1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-15-6-4-7-16(12-15)21(24-10-5-8-23-9-11-24)17-13-19(25-2)20(26-3)14-18(17)22/h4,6-7,12-14,21,23H,5,8-11H2,1-3H3