2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-6-fluoro-benzonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]amino]-6-fluorobenzonitrile IUPAC Name: 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-6-fluorobenzonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]amino]-6-fluoro-benzonitrile Formula: C15H18FN3O MolecularWeight: 275.321323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC2=C(C(=CC=C2)F)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C15H18FN3O/c16-13-6-5-7-14(12(13)10-17)18-11-15(20)19-8-3-1-2-4-9-19/h5-7,18H,1-4,8-9,11H2