2-[4-[4-(azepan-1-yl)phenyl]-3-cyano-5-methyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile

Systemtic Name: 2-[4-[4-(azepan-1-yl)phenyl]-3-cyano-5-methyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile Openeye Name: 2-[4-[4-(azepan-1-yl)phenyl]-3-cyano-5-methyl-5-(trifluoromethyl)-2-furylidene]propanedinitrile CAS Name: 2-[4-[4-(1-azepanyl)phenyl]-3-cyano-5-methyl-5-(trifluoromethyl)-2-furanylidene]propanedinitrile IUPAC Name: 2-[4-[4-(azepan-1-yl)phenyl]-3-cyano-5-methyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile Traditional Name: 2-[4-[4-(azepan-1-yl)phenyl]-3-cyano-5-methyl-5-(trifluoromethyl)-2-furylidene]malononitrile Formula: C22H19F3N4O MolecularWeight: 412.40767

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=C(C#N)C#N)O1)C#N)C2=CC=C(C=C2)N3CCCCCC3)C(F)(F)F

Isomeric SMILES

CC1(C(=C(C(=C(C#N)C#N)O1)C#N)C2=CC=C(C=C2)N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O/c1-21(22(23,24)25)19(18(14-28)20(30-21)16(12-26)13-27)15-6-8-17(9-7-15)29-10-4-2-3-5-11-29/h6-9H,2-5,10-11H2,1H3