3-[[3,4-bis(fluoranyl)phenyl]methyl]-1-ethyl-1-piperidin-4-yl-urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methyl]-1-ethyl-1-piperidin-4-yl-urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[(3,4-difluorophenyl)methyl]-1-ethyl-1-(4-piperidyl)urea; 2,2,2-trifluoroacetic acid CAS Name: 3-[(3,4-difluorophenyl)methyl]-1-ethyl-1-(4-piperidinyl)urea; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-1-ethyl-1-piperidin-4-ylurea; 2,2,2-trifluoroacetic acid Traditional Name: 3-(3,4-difluorobenzyl)-1-ethyl-1-(4-piperidyl)urea; 2,2,2-trifluoroacetic acid Formula: C17H22F5N3O3 MolecularWeight: 411.366896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCNCC1)C(=O)NCC2=CC(=C(C=C2)F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCN(C1CCNCC1)C(=O)NCC2=CC(=C(C=C2)F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H21F2N3O.C2HF3O2/c1-2-20(12-5-7-18-8-6-12)15(21)19-10-11-3-4-13(16)14(17)9-11;3-2(4,5)1(6)7/h3-4,9,12,18H,2,5-8,10H2,1H3,(H,19,21);(H,6,7)