1-[3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]phenyl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 1-[3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]phenyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: 1-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-5-methyl-pyrazole-3-carboxamide CAS Name: 1-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 1-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-5-methylpyrazole-3-carboxamide Traditional Name: 1-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C18H13F2N3O3 MolecularWeight: 357.310926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C3=C4C(=CC=C3)OC(O4)(F)F)C(=O)N

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C3=C4C(=CC=C3)OC(O4)(F)F)C(=O)N

InChI

InChI=1S/C18H13F2N3O3/c1-10-8-14(17(21)24)22-23(10)12-5-2-4-11(9-12)13-6-3-7-15-16(13)26-18(19,20)25-15/h2-9H,1H3,(H2,21,24)