5-azanyl-3-[2,4-bis(fluoranyl)phenyl]-1-(4-chlorophenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[2,4-bis(fluoranyl)phenyl]-1-(4-chlorophenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)pyrazole-4-carbonitrile Formula: C16H9ClF2N4 MolecularWeight: 330.719266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)C3=C(C=C(C=C3)F)F)C#N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)C3=C(C=C(C=C3)F)F)C#N)N)Cl

InChI

InChI=1S/C16H9ClF2N4/c17-9-1-4-11(5-2-9)23-16(21)13(8-20)15(22-23)12-6-3-10(18)7-14(12)19/h1-7H,21H2