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

Systemtic Name: methyl 5-[[4-(4-fluoranylnaphthalen-1-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-fluoronaphthalene-1-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(4-fluoro-1-naphthalenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-fluoronaphthalene-1-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-fluoro-1-naphthoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(C4=CC=CC=C43)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(C4=CC=CC=C43)F

InChI

InChI=1S/C23H23FN2O4/c1-29-23(28)21-10-7-16(30-21)15-25-11-4-12-26(14-13-25)22(27)19-8-9-20(24)18-6-3-2-5-17(18)19/h2-3,5-10H,4,11-15H2,1H3