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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C19H27BrN4O2 MolecularWeight: 423.34728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C19H27BrN4O2/c1-22-8-5-21-19(22)14-24-7-4-6-23(9-10-24)13-15-11-17(25-2)18(26-3)12-16(15)20/h5,8,11-12H,4,6-7,9-10,13-14H2,1-3H3