1-phenyl-2-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine

Systemtic Name: 1-phenyl-2-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine Openeye Name: 1-phenyl-2-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine CAS Name: 1-phenyl-2-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine IUPAC Name: 1-phenyl-2-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine Traditional Name: 1-phenyl-2-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine Formula: C18H13F6N5O MolecularWeight: 429.319139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(N=C(O2)N=C(N)NC3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(N=C(O2)/N=C(\N)/NC3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H13F6N5O/c19-17(20,21)16(18(22,23)24)28-13(11-7-3-1-4-8-11)30-15(29-16)27-14(25)26-12-9-5-2-6-10-12/h1-10H,(H3,25,26,27,29)