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

Systemtic Name: methyl 5-[[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-bromo-4,5-dimethoxy-benzyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H27BrN2O5 MolecularWeight: 467.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Br)OC

InChI

InChI=1S/C21H27BrN2O5/c1-26-19-11-15(17(22)12-20(19)27-2)13-23-7-4-8-24(10-9-23)14-16-5-6-18(29-16)21(25)28-3/h5-6,11-12H,4,7-10,13-14H2,1-3H3