2-(azepan-4-yl)-3,5-bis(fluoranyl)benzenecarbonitrile

Systemtic Name: 2-(azepan-4-yl)-3,5-bis(fluoranyl)benzenecarbonitrile Openeye Name: 2-(azepan-4-yl)-3,5-difluoro-benzonitrile CAS Name: 2-(4-azepanyl)-3,5-difluorobenzonitrile IUPAC Name: 2-(azepan-4-yl)-3,5-difluorobenzonitrile Traditional Name: 2-(azepan-4-yl)-3,5-difluoro-benzonitrile Formula: C13H14F2N2 MolecularWeight: 236.260466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=C(C=C(C=C2C#N)F)F

Isomeric SMILES

C1CC(CCNC1)C2=C(C=C(C=C2C#N)F)F

InChI

InChI=1S/C13H14F2N2/c14-11-6-10(8-16)13(12(15)7-11)9-2-1-4-17-5-3-9/h6-7,9,17H,1-5H2