2-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-1-(2-pyridin-4-ylethyl)guanidine

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-1-(2-pyridin-4-ylethyl)guanidine Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-1-[2-(4-pyridyl)ethyl]guanidine CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-1-(2-pyridin-4-ylethyl)guanidine IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-1-(2-pyridin-4-ylethyl)guanidine Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-1-[2-(4-pyridyl)ethyl]guanidine Formula: C17H13F6N5 MolecularWeight: 401.309039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCN(C#N)C(=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CN=CC=C1CCN(C#N)C(=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C17H13F6N5/c18-16(19,20)12-7-13(17(21,22)23)9-14(8-12)27-15(25)28(10-24)6-3-11-1-4-26-5-2-11/h1-2,4-5,7-9H,3,6H2,(H2,25,27)