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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-homopiperonyl-5-methyl-pyrazole-4-carboxamide Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18FN3O3/c1-13-17(11-23-24(13)16-5-3-15(21)4-6-16)20(25)22-9-8-14-2-7-18-19(10-14)27-12-26-18/h2-7,10-11H,8-9,12H2,1H3,(H,22,25)