N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide Traditional Name: N-piperonyl-N'-[3-(trifluoromethyl)phenyl]succinamide Formula: C19H17F3N2O4 MolecularWeight: 394.34449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O4/c20-19(21,22)13-2-1-3-14(9-13)24-18(26)7-6-17(25)23-10-12-4-5-15-16(8-12)28-11-27-15/h1-5,8-9H,6-7,10-11H2,(H,23,25)(H,24,26)