ethyl 1-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(chroman-4-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[(3,4-dihydro-2H-1-benzopyran-4-ylamino)-oxomethyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(chroman-4-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H20F3N3O4 MolecularWeight: 459.41781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)C(F)(F)F

InChI

InChI=1S/C23H20F3N3O4/c1-2-32-22(31)17-13-27-29(20(17)23(24,25)26)15-9-7-14(8-10-15)21(30)28-18-11-12-33-19-6-4-3-5-16(18)19/h3-10,13,18H,2,11-12H2,1H3,(H,28,30)