N-[4-(cyanomethyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Formula: C20H15F3N4O2 MolecularWeight: 400.35391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=CC=C(C=C2)CC#N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=CC=C(C=C2)CC#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O2/c1-29-17-12-27(16-4-2-3-14(11-16)20(21,22)23)26-18(17)19(28)25-15-7-5-13(6-8-15)9-10-24/h2-8,11-12H,9H2,1H3,(H,25,28)