N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3/c1-22(2,3)20-11-17(26(25-20)12-14-4-6-15(23)7-5-14)21(27)24-16-8-9-18-19(10-16)29-13-28-18/h4-11H,12-13H2,1-3H3,(H,24,27)