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

Systemtic Name: 3-[[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(2-bromo-4,5-dimethoxy-benzyl)-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole Formula: C19H26BrN3O3 MolecularWeight: 424.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C19H26BrN3O3/c1-14-9-16(21-26-14)13-23-6-4-5-22(7-8-23)12-15-10-18(24-2)19(25-3)11-17(15)20/h9-11H,4-8,12-13H2,1-3H3