1-(4-bromanyl-3-methoxy-phenyl)-4-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)-4-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-(4-bromo-3-methoxy-phenyl)-4-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-(4-bromo-3-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-3-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-bromo-3-methoxy-phenyl)-4-veratryl-1,4-diazepane Formula: C21H27BrN2O3 MolecularWeight: 435.35468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCN(CC2)C3=CC(=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCN(CC2)C3=CC(=C(C=C3)Br)OC)OC

InChI

InChI=1S/C21H27BrN2O3/c1-25-19-8-5-16(13-21(19)27-3)15-23-9-4-10-24(12-11-23)17-6-7-18(22)20(14-17)26-2/h5-8,13-14H,4,9-12,15H2,1-3H3