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

Systemtic Name: N-butylmethanamide; 1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile Openeye Name: N-butylformamide; 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile CAS Name: N-butylformamide; 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)-4-pyrazolecarbonitrile IUPAC Name: N-butylformamide; 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile Traditional Name: N-butylformamide; 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile Formula: C17H19ClF3N5O MolecularWeight: 401.81387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClF3N4.C5H11NO/c1-18-11-7(5-17)6-19-20(11)10-3-2-8(4-9(10)13)12(14,15)16;1-2-3-4-6-5-7/h2-4,6,18H,1H3;5H,2-4H2,1H3,(H,6,7)