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

Systemtic Name: 2-[[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-[[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[4-(2-bromo-4,5-dimethoxy-benzyl)-1,4-diazepan-1-yl]methyl]thiazole Formula: C18H24BrN3O2S MolecularWeight: 426.37106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=NC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=NC=CS3)Br)OC

InChI

InChI=1S/C18H24BrN3O2S/c1-23-16-10-14(15(19)11-17(16)24-2)12-21-5-3-6-22(8-7-21)13-18-20-4-9-25-18/h4,9-11H,3,5-8,12-13H2,1-2H3