4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide Traditional Name: N-methyl-4-piperonyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide Formula: C22H22F3N3O4 MolecularWeight: 449.42299

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22F3N3O4/c1-26-20(29)17-12-27(11-14-5-6-18-19(9-14)32-13-31-18)7-8-28(17)21(30)15-3-2-4-16(10-15)22(23,24)25/h2-6,9-10,17H,7-8,11-13H2,1H3,(H,26,29)