1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H28BrN3O2/c1-16-6-4-7-18(23-16)15-25-9-5-8-24(10-11-25)14-17-12-20(26-2)21(27-3)13-19(17)22/h4,6-7,12-13H,5,8-11,14-15H2,1-3H3