1-[[4-(aminomethyl)-2-fluoranyl-phenyl]methyl]azepan-2-one

Systemtic Name: 1-[[4-(aminomethyl)-2-fluoranyl-phenyl]methyl]azepan-2-one Openeye Name: 1-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]azepan-2-one CAS Name: 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-azepanone IUPAC Name: 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-one Traditional Name: 1-[4-(aminomethyl)-2-fluoro-benzyl]azepan-2-one Formula: C14H19FN2O MolecularWeight: 250.311863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(C=C(C=C2)CN)F

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(C=C(C=C2)CN)F

InChI

InChI=1S/C14H19FN2O/c15-13-8-11(9-16)5-6-12(13)10-17-7-3-1-2-4-14(17)18/h5-6,8H,1-4,7,9-10,16H2