methyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C17H24N4O3/c1-19-9-6-18-16(19)13-21-8-3-7-20(10-11-21)12-14-4-5-15(24-14)17(22)23-2/h4-6,9H,3,7-8,10-13H2,1-2H3