5-phenyl-3-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 5-phenyl-3-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[(4-triflyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Formula: C15H17F3N4O3S MolecularWeight: 390.38069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C(F)(F)F)CC2=NOC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C(F)(F)F)CC2=NOC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H17F3N4O3S/c16-15(17,18)26(23,24)22-8-4-7-21(9-10-22)11-13-19-14(25-20-13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2