2-[3-[(2R,6R)-4-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(naphthalen-2-ylmethyl)-5-oxidanylidene-piperazin-2-yl]propyl]guanidine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[3-[(2R,6R)-4-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(naphthalen-2-ylmethyl)-5-oxidanylidene-piperazin-2-yl]propyl]guanidine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[3-[(2R,6R)-4-[(3,4-difluorophenyl)methyl]-6-(2-naphthylmethyl)-5-oxo-piperazin-2-yl]propyl]guanidine; 2,2,2-trifluoroacetic acid CAS Name: 2-[3-[(2R,6R)-4-[(3,4-difluorophenyl)methyl]-6-(2-naphthalenylmethyl)-5-oxo-2-piperazinyl]propyl]guanidine; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[3-[(2R,6R)-4-[(3,4-difluorophenyl)methyl]-6-(naphthalen-2-ylmethyl)-5-oxopiperazin-2-yl]propyl]guanidine; 2,2,2-trifluoroacetic acid Traditional Name: 2-[3-[(2R,6R)-4-(3,4-difluorobenzyl)-5-keto-6-(2-naphthylmethyl)piperazin-2-yl]propyl]guanidine; 2,2,2-trifluoroacetic acid Formula: C28H30F5N5O3 MolecularWeight: 579.561516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C(=O)N1CC2=CC(=C(C=C2)F)F)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@H](N[C@@H](C(=O)N1CC2=CC(=C(C=C2)F)F)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H29F2N5O.C2HF3O2/c27-22-10-8-18(13-23(22)28)15-33-16-21(6-3-11-31-26(29)30)32-24(25(33)34)14-17-7-9-19-4-1-2-5-20(19)12-17;3-2(4,5)1(6)7/h1-2,4-5,7-10,12-13,21,24,32H,3,6,11,14-16H2,(H4,29,30,31);(H,6,7)/t21-,24-;/m1./s1