N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]butanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]butanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]butanediamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-fluorophenyl)-5-phenyl-3-pyrazolyl]butanediamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-fluorophenyl)-5-phenylpyrazol-3-yl]butanediamide Traditional Name: N'-[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]-N-piperonyl-succinamide Formula: C27H23FN4O4 MolecularWeight: 486.494323

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC(=O)NC3=CC(=NN3C4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC(=O)NC3=CC(=NN3C4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H23FN4O4/c28-20-7-4-8-21(14-20)32-25(15-22(31-32)19-5-2-1-3-6-19)30-27(34)12-11-26(33)29-16-18-9-10-23-24(13-18)36-17-35-23/h1-10,13-15H,11-12,16-17H2,(H,29,33)(H,30,34)