3-but-2-ynyl-5-phenacyl-2-piperazin-1-yl-imidazo[4,5-c]pyridin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-but-2-ynyl-5-phenacyl-2-piperazin-1-yl-imidazo[4,5-c]pyridin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-but-2-ynyl-5-phenacyl-2-piperazin-1-yl-imidazo[4,5-c]pyridin-4-one; 2,2,2-trifluoroacetic acid CAS Name: 3-but-2-ynyl-5-phenacyl-2-(1-piperazinyl)-4-imidazo[4,5-c]pyridinone; 2,2,2-trifluoroacetic acid IUPAC Name: 3-but-2-ynyl-5-phenacyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 3-but-2-ynyl-5-phenacyl-2-piperazino-imidazo[4,5-c]pyridin-4-one; 2,2,2-trifluoroacetic acid Formula: C24H24F3N5O4 MolecularWeight: 503.47367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=CN(C2=O)CC(=O)C3=CC=CC=C3)N=C1N4CCNCC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(C=CN(C2=O)CC(=O)C3=CC=CC=C3)N=C1N4CCNCC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H23N5O2.C2HF3O2/c1-2-3-12-27-20-18(24-22(27)25-14-10-23-11-15-25)9-13-26(21(20)29)16-19(28)17-7-5-4-6-8-17;3-2(4,5)1(6)7/h4-9,13,23H,10-12,14-16H2,1H3;(H,6,7)