1-cyano-2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(trifluoromethyl)phenyl]guanidine

Systemtic Name: 1-cyano-2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(trifluoromethyl)phenyl]guanidine Openeye Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(trifluoromethyl)phenyl]guanidine CAS Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[3-(trifluoromethyl)phenyl]guanidine IUPAC Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(trifluoromethyl)phenyl]guanidine Traditional Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(trifluoromethyl)phenyl]guanidine Formula: C21H18F3N5O2 MolecularWeight: 429.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=CC(=C3)C(F)(F)F)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=CC(=C3)C(F)(F)F)O)C

InChI

InChI=1S/C21H18F3N5O2/c1-20(2)18(30)17(15-8-12(10-25)6-7-16(15)31-20)29-19(27-11-26)28-14-5-3-4-13(9-14)21(22,23)24/h3-9,17-18,30H,1-2H3,(H2,27,28,29)