7-(quinolin-4-ylmethyl)-5-[4-(trifluoromethyloxy)phenyl]-5,7-diazaspiro[2.4]heptane-4,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-(quinolin-4-ylmethyl)-5-[4-(trifluoromethyloxy)phenyl]-5,7-diazaspiro[2.4]heptane-4,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-(4-quinolylmethyl)-5-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[2.4]heptane-4,6-dione; 2,2,2-trifluoroacetic acid CAS Name: 7-(4-quinolinylmethyl)-5-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[2.4]heptane-4,6-dione; 2,2,2-trifluoroacetic acid IUPAC Name: 7-(quinolin-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[2.4]heptane-4,6-dione; 2,2,2-trifluoroacetic acid Traditional Name: 7-(4-quinolylmethyl)-5-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[2.4]heptane-4,6-quinone; 2,2,2-trifluoroacetic acid Formula: C24H17F6N3O5 MolecularWeight: 541.399299

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Descriptors Computed from Structure

Canonical SMILES:

C1CC12C(=O)N(C(=O)N2CC3=CC=NC4=CC=CC=C34)C5=CC=C(C=C5)OC(F)(F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CC12C(=O)N(C(=O)N2CC3=CC=NC4=CC=CC=C34)C5=CC=C(C=C5)OC(F)(F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H16F3N3O3.C2HF3O2/c23-22(24,25)31-16-7-5-15(6-8-16)28-19(29)21(10-11-21)27(20(28)30)13-14-9-12-26-18-4-2-1-3-17(14)18;3-2(4,5)1(6)7/h1-9,12H,10-11,13H2;(H,6,7)