N-[3,5-bis(trifluoromethyl)phenyl]-4-phenethyl-piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenethyl-piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenethyl-piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenethyl-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenethylpiperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenethyl-piperazine-1-carboxamide Formula: C21H21F6N3O MolecularWeight: 445.401359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H21F6N3O/c22-20(23,24)16-12-17(21(25,26)27)14-18(13-16)28-19(31)30-10-8-29(9-11-30)7-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,28,31)