ethyl 1-[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[[(4-cyanophenyl)methylamino]-oxomethyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[(4-cyanobenzyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H17F3N4O3 MolecularWeight: 442.39059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C22H17F3N4O3/c1-2-32-21(31)18-13-28-29(19(18)22(23,24)25)17-9-7-16(8-10-17)20(30)27-12-15-5-3-14(11-26)4-6-15/h3-10,13H,2,12H2,1H3,(H,27,30)