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

Systemtic Name: methyl 5-[[4-(2-fluoranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-fluoro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-fluoronicotinoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H20FN3O4 MolecularWeight: 361.367503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)F

InChI

InChI=1S/C18H20FN3O4/c1-25-18(24)15-6-5-13(26-15)12-21-8-3-9-22(11-10-21)17(23)14-4-2-7-20-16(14)19/h2,4-7H,3,8-12H2,1H3