1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-octylmethanamide

Systemtic Name: 1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-octylmethanamide Openeye Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-octylformamide CAS Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)-4-pyrazolecarbonitrile; N-octylformamide IUPAC Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-octylformamide Traditional Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-octylformamide Formula: C21H27ClF3N5O MolecularWeight: 457.92019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC=O.CNC1=C(C=NN1C2=C(C=C(C=C2)C(F)(F)F)Cl)C#N

Isomeric SMILES

CCCCCCCCNC=O.CNC1=C(C=NN1C2=C(C=C(C=C2)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C12H8ClF3N4.C9H19NO/c1-18-11-7(5-17)6-19-20(11)10-3-2-8(4-9(10)13)12(14,15)16;1-2-3-4-5-6-7-8-10-9-11/h2-4,6,18H,1H3;9H,2-8H2,1H3,(H,10,11)