4-[[1-[1-[3-phenyl-3-[3,3,3-tris(fluoranyl)propanoylamino]propyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-[[1-[1-[3-phenyl-3-[3,3,3-tris(fluoranyl)propanoylamino]propyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-[[1-[1-[3-phenyl-3-(3,3,3-trifluoropropanoylamino)propyl]-4-piperidyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-[[1-[1-[3-phenyl-3-[(3,3,3-trifluoro-1-oxopropyl)amino]propyl]-4-piperidinyl]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-[[1-[1-[3-phenyl-3-(3,3,3-trifluoropropanoylamino)propyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-[[1-[1-[3-phenyl-3-(3,3,3-trifluoropropanoylamino)propyl]-4-piperidyl]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H31F3N6O2 MolecularWeight: 528.56925

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC(=N2)CC3=CC=C(C=C3)C(=O)N)CCC(C4=CC=CC=C4)NC(=O)CC(F)(F)F

Isomeric SMILES

C1CN(CCC1N2C=NC(=N2)CC3=CC=C(C=C3)C(=O)N)CCC(C4=CC=CC=C4)NC(=O)CC(F)(F)F

InChI

InChI=1S/C27H31F3N6O2/c28-27(29,30)17-25(37)33-23(20-4-2-1-3-5-20)12-15-35-13-10-22(11-14-35)36-18-32-24(34-36)16-19-6-8-21(9-7-19)26(31)38/h1-9,18,22-23H,10-17H2,(H2,31,38)(H,33,37)