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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(3-pyridylmethyl)-1,4-diazepane Formula: C20H26BrN3O2 MolecularWeight: 420.34334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CN=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CN=CC=C3)Br)OC

InChI

InChI=1S/C20H26BrN3O2/c1-25-19-11-17(18(21)12-20(19)26-2)15-24-8-4-7-23(9-10-24)14-16-5-3-6-22-13-16/h3,5-6,11-13H,4,7-10,14-15H2,1-2H3