1-[2-(aminomethyl)-3-fluoranyl-phenyl]azepane-2,7-dione

Systemtic Name: 1-[2-(aminomethyl)-3-fluoranyl-phenyl]azepane-2,7-dione Openeye Name: 1-[2-(aminomethyl)-3-fluoro-phenyl]azepane-2,7-dione CAS Name: 1-[2-(aminomethyl)-3-fluorophenyl]azepane-2,7-dione IUPAC Name: 1-[2-(aminomethyl)-3-fluorophenyl]azepane-2,7-dione Traditional Name: 1-[2-(aminomethyl)-3-fluoro-phenyl]azepane-2,7-quinone Formula: C13H15FN2O2 MolecularWeight: 250.268803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=C(C(=CC=C2)F)CN

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=C(C(=CC=C2)F)CN

InChI

InChI=1S/C13H15FN2O2/c14-10-4-3-5-11(9(10)8-15)16-12(17)6-1-2-7-13(16)18/h3-5H,1-2,6-8,15H2