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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide Traditional Name: N,N-diethyl-4-piperonyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide Formula: C25H28F3N3O4 MolecularWeight: 491.50273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F3N3O4/c1-3-30(4-2)24(33)20-15-29(14-17-8-9-21-22(12-17)35-16-34-21)10-11-31(20)23(32)18-6-5-7-19(13-18)25(26,27)28/h5-9,12-13,20H,3-4,10-11,14-16H2,1-2H3