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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-piperonyl-piperazine-1-carboxamide Formula: C20H19ClF3N3O3 MolecularWeight: 441.83137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N3O3/c21-15-3-2-14(20(22,23)24)10-16(15)25-19(28)27-7-5-26(6-8-27)11-13-1-4-17-18(9-13)30-12-29-17/h1-4,9-10H,5-8,11-12H2,(H,25,28)