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

Systemtic Name: methyl 5-[[4-[(5-fluoranyl-1H-indol-2-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(5-fluoro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(5-fluoro-1H-indol-2-yl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-fluoro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(5-fluoro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C21H22FN3O4/c1-28-21(27)19-6-4-16(29-19)13-24-7-2-8-25(10-9-24)20(26)18-12-14-11-15(22)3-5-17(14)23-18/h3-6,11-12,23H,2,7-10,13H2,1H3