3-azanylidene-3-(azepan-1-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propanenitrile

Systemtic Name: 3-azanylidene-3-(azepan-1-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propanenitrile Openeye Name: 2-(azepan-1-yl)-2-imino-N-[3-(trifluoromethyl)anilino]acetimidoyl cyanide CAS Name: 3-(1-azepanyl)-3-imino-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propanenitrile IUPAC Name: 2-(azepan-1-yl)-2-imino-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide Traditional Name: 3-(azepan-1-yl)-3-imino-2-[[3-(trifluoromethyl)phenyl]hydrazono]propionitrile Formula: C16H18F3N5 MolecularWeight: 337.34283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=N)C(=NNC2=CC=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

C1CCCN(CC1)C(=N)C(=NNC2=CC=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H18F3N5/c17-16(18,19)12-6-5-7-13(10-12)22-23-14(11-20)15(21)24-8-3-1-2-4-9-24/h5-7,10,21-22H,1-4,8-9H2