1-[2-oxidanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-phenyl-urea

Systemtic Name: 1-[2-oxidanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]-3-phenylurea IUPAC Name: 1-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-phenylurea Traditional Name: 1-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl]-3-phenyl-urea Formula: C21H25F3N4O2 MolecularWeight: 422.44401

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CNC(=O)NC2=CC=CC=C2)O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC(CNC(=O)NC2=CC=CC=C2)O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O2/c22-21(23,24)16-5-4-8-18(13-16)28-11-9-27(10-12-28)15-19(29)14-25-20(30)26-17-6-2-1-3-7-17/h1-8,13,19,29H,9-12,14-15H2,(H2,25,26,30)