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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H26BrN3O2 MolecularWeight: 420.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

InChI

InChI=1S/C20H26BrN3O2/c1-14-5-6-17(23-13-14)20(24-9-4-7-22-8-10-24)15-11-18(25-2)19(26-3)12-16(15)21/h5-6,11-13,20,22H,4,7-10H2,1-3H3