3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carbonitrile

Systemtic Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carbonitrile Openeye Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carbonitrile CAS Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carbonitrile IUPAC Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carbonitrile Traditional Name: 3,5-ditert-butyl-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-pyrazoline-3-carbonitrile Formula: C24H28FN3O MolecularWeight: 393.497023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(NN1C2=CC=C(C=C2)F)(C#N)C(C)(C)C)C3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)C1=C(C(NN1C2=CC=C(C=C2)F)(C#N)C(C)(C)C)C3=CC=C(C=C3)O

InChI

InChI=1S/C24H28FN3O/c1-22(2,3)21-20(16-7-13-19(29)14-8-16)24(15-26,23(4,5)6)27-28(21)18-11-9-17(25)10-12-18/h7-14,27,29H,1-6H3