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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN(C=C3OCC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN(C=C3OCC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN3O4/c26-19-7-9-20(10-8-19)29-14-23(31-15-17-4-2-1-3-5-17)24(28-29)25(30)27-13-18-6-11-21-22(12-18)33-16-32-21/h1-12,14H,13,15-16H2,(H,27,30)