N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-N-piperonyl-pyrazole-3-carboxamide Formula: C26H22FN3O3 MolecularWeight: 443.469583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H22FN3O3/c1-16-3-9-22(17(2)11-16)30-23(13-21(29-30)19-5-7-20(27)8-6-19)26(31)28-14-18-4-10-24-25(12-18)33-15-32-24/h3-13H,14-15H2,1-2H3,(H,28,31)