1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(3-methylbutyl)guanidine

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(3-methylbutyl)guanidine Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-isopentyl-guanidine CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(3-methylbutyl)guanidine IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(3-methylbutyl)guanidine Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-isoamyl-guanidine Formula: C15H16F6N4 MolecularWeight: 366.304759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(NC#N)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)CCN=C(NC#N)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H16F6N4/c1-9(2)3-4-23-13(24-8-22)25-12-6-10(14(16,17)18)5-11(7-12)15(19,20)21/h5-7,9H,3-4H2,1-2H3,(H2,23,24,25)