1-(3-azidopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(3-azidopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(3-azidopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(3-azidopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(3-azidopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(3-azidopropyl)-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C18H15FN4O MolecularWeight: 322.336303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN=[N+]=[N-])C3=CC=C(C=C3)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN=[N+]=[N-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN4O/c19-16-5-3-15(4-6-16)18(8-1-9-22-23-21)17-7-2-13(11-20)10-14(17)12-24-18/h2-7,10H,1,8-9,12H2