2,5-bis(fluoranyl)-1-(phenylmethyl)-3-(1H-pyrrol-3-yl)cyclohex-2-ene-1-carbonitrile

Systemtic Name: 2,5-bis(fluoranyl)-1-(phenylmethyl)-3-(1H-pyrrol-3-yl)cyclohex-2-ene-1-carbonitrile Openeye Name: 1-benzyl-2,5-difluoro-3-(1H-pyrrol-3-yl)cyclohex-2-ene-1-carbonitrile CAS Name: 2,5-difluoro-1-(phenylmethyl)-3-(1H-pyrrol-3-yl)-1-cyclohex-2-enecarbonitrile IUPAC Name: 1-benzyl-2,5-difluoro-3-(1H-pyrrol-3-yl)cyclohex-2-ene-1-carbonitrile Traditional Name: 1-benzyl-2,5-difluoro-3-(1H-pyrrol-3-yl)cyclohex-2-ene-1-carbonitrile Formula: C18H16F2N2 MolecularWeight: 298.329846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(=C1C2=CNC=C2)F)(CC3=CC=CC=C3)C#N)F

Isomeric SMILES

C1C(CC(C(=C1C2=CNC=C2)F)(CC3=CC=CC=C3)C#N)F

InChI

InChI=1S/C18H16F2N2/c19-15-8-16(14-6-7-22-11-14)17(20)18(10-15,12-21)9-13-4-2-1-3-5-13/h1-7,11,15,22H,8-10H2