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

Systemtic Name: 1-methyl-3-[(4-nitrophenyl)methyl]-1-piperidin-4-yl-urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-methyl-3-[(4-nitrophenyl)methyl]-1-(4-piperidyl)urea; 2,2,2-trifluoroacetic acid CAS Name: 1-methyl-3-[(4-nitrophenyl)methyl]-1-(4-piperidinyl)urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-methyl-3-[(4-nitrophenyl)methyl]-1-piperidin-4-ylurea; 2,2,2-trifluoroacetic acid Traditional Name: 1-methyl-3-(4-nitrobenzyl)-1-(4-piperidyl)urea; 2,2,2-trifluoroacetic acid Formula: C16H21F3N4O5 MolecularWeight: 406.35695

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCNCC1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

CN(C1CCNCC1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H20N4O3.C2HF3O2/c1-17(12-6-8-15-9-7-12)14(19)16-10-11-2-4-13(5-3-11)18(20)21;3-2(4,5)1(6)7/h2-5,12,15H,6-10H2,1H3,(H,16,19);(H,6,7)