5-(4-chlorophenyl)-4-isocyano-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-isocyano-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-isocyano-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-isocyano-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-isocyano-4-methyl-N-[4-(trifluoromethyl)phenyl]-3H-pyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-isocyano-4-methyl-N-[4-(trifluoromethyl)phenyl]-2-pyrazoline-1-carboxamide Formula: C19H14ClF3N4O MolecularWeight: 406.78887

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+]#[C-]

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+]#[C-]

InChI

InChI=1S/C19H14ClF3N4O/c1-18(24-2)11-27(26-16(18)12-3-7-14(20)8-4-12)17(28)25-15-9-5-13(6-10-15)19(21,22)23/h3-10H,11H2,1H3,(H,25,28)