4-[[3,5-bis(fluoranyl)phenyl]methyl-pyrimidin-5-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(fluoranyl)phenyl]methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(3,5-difluorophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(3,5-difluorophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3,5-difluorophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(3,5-difluorobenzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H12F2N4 MolecularWeight: 322.311486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=CC(=C2)F)F)C3=CN=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=CC(=C2)F)F)C3=CN=CN=C3

InChI

InChI=1S/C18H12F2N4/c19-15-5-14(6-16(20)7-15)11-24(18-9-22-12-23-10-18)17-3-1-13(8-21)2-4-17/h1-7,9-10,12H,11H2