3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(2,7-dioxoazepan-1-yl)methyl]-4-fluoro-benzonitrile CAS Name: 3-[(2,7-dioxo-1-azepanyl)methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(2,7-dioxoazepan-1-yl)methyl]-4-fluorobenzonitrile Traditional Name: 3-[(2,7-diketoazepan-1-yl)methyl]-4-fluoro-benzonitrile Formula: C14H13FN2O2 MolecularWeight: 260.263623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C14H13FN2O2/c15-12-6-5-10(8-16)7-11(12)9-17-13(18)3-1-2-4-14(17)19/h5-7H,1-4,9H2