3-azanyl-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-2-phenyl-5,5-bis(trifluoromethyl)-1H-pyrazole-4-carbonitrile Traditional Name: 5-amino-1-phenyl-3,3-bis(trifluoromethyl)-3-pyrazoline-4-carbonitrile Formula: C12H8F6N4 MolecularWeight: 322.209139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(N2)(C(F)(F)F)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(N2)(C(F)(F)F)C(F)(F)F)C#N)N

InChI

InChI=1S/C12H8F6N4/c13-11(14,15)10(12(16,17)18)8(6-19)9(20)22(21-10)7-4-2-1-3-5-7/h1-5,21H,20H2