1-[(5-bromanyl-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C21H27BrN2O3 MolecularWeight: 435.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3/c1-25-17-9-8-15(22)14-16(17)21(24-12-5-10-23-11-13-24)20-18(26-2)6-4-7-19(20)27-3/h4,6-9,14,21,23H,5,10-13H2,1-3H3