methyl 5-[[4-(2,1,3-benzoxadiazol-5-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,1,3-benzoxadiazol-5-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,1,3-benzoxadiazole-5-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,1,3-benzoxadiazole-5-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(benzofurazan-5-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC4=NON=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C19H20N4O5/c1-26-19(25)17-6-4-14(27-17)12-22-7-2-8-23(10-9-22)18(24)13-3-5-15-16(11-13)21-28-20-15/h3-6,11H,2,7-10,12H2,1H3