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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C19H24BrN3O2 MolecularWeight: 406.31676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CN=CC=C2)N3CCCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CN=CC=C2)N3CCCNCC3)Br)OC

InChI

InChI=1S/C19H24BrN3O2/c1-24-17-11-15(16(20)12-18(17)25-2)19(14-5-3-6-22-13-14)23-9-4-7-21-8-10-23/h3,5-6,11-13,19,21H,4,7-10H2,1-2H3