N-[3-bromanyl-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-bromanyl-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Openeye Name: N-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide CAS Name: N-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Traditional Name: N-(3-bromo-4-neopentyloxy-phenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide Formula: C21H21BrFN3O2 MolecularWeight: 446.312743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F)Br

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C21H21BrFN3O2/c1-21(2,3)13-28-19-9-6-16(10-18(19)22)25-20(27)14-11-24-26(12-14)17-7-4-15(23)5-8-17/h4-12H,13H2,1-3H3,(H,25,27)