1-[(3,5-ditert-butyl-4-chloranyl-2-fluoranyl-phenyl)methyl]pyrazole

Systemtic Name: 1-[(3,5-ditert-butyl-4-chloranyl-2-fluoranyl-phenyl)methyl]pyrazole Openeye Name: 1-[(3,5-ditert-butyl-4-chloro-2-fluoro-phenyl)methyl]pyrazole CAS Name: 1-[(3,5-ditert-butyl-4-chloro-2-fluorophenyl)methyl]pyrazole IUPAC Name: 1-[(3,5-ditert-butyl-4-chloro-2-fluorophenyl)methyl]pyrazole Traditional Name: 1-(3,5-ditert-butyl-4-chloro-2-fluoro-benzyl)pyrazole Formula: C18H24ClFN2 MolecularWeight: 322.847963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1)CN2C=CC=N2)F)C(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1)CN2C=CC=N2)F)C(C)(C)C)Cl

InChI

InChI=1S/C18H24ClFN2/c1-17(2,3)13-10-12(11-22-9-7-8-21-22)16(20)14(15(13)19)18(4,5)6/h7-10H,11H2,1-6H3