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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-5-(3-methoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-(3-methoxyphenyl)-N-piperonyl-pyrazole-3-carboxamide Formula: C25H20FN3O4 MolecularWeight: 445.442403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN3O4/c1-31-20-4-2-3-17(12-20)21-13-22(29(28-21)19-8-6-18(26)7-9-19)25(30)27-14-16-5-10-23-24(11-16)33-15-32-23/h2-13H,14-15H2,1H3,(H,27,30)