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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(4-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(4-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=CC=NC=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O2/c1-25-19-12-17(18(21)13-20(19)26-2)15-24-9-3-8-23(10-11-24)14-16-4-6-22-7-5-16/h4-7,12-13H,3,8-11,14-15H2,1-2H3