ethyl 1-[4-(3-benzamidopropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(3-benzamidopropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(3-benzamidopropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[(3-benzamido-1-oxopropyl)amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-benzamidopropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(3-benzamidopropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H21F3N4O4 MolecularWeight: 474.43245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O4/c1-2-34-22(33)18-14-28-30(20(18)23(24,25)26)17-10-8-16(9-11-17)29-19(31)12-13-27-21(32)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,27,32)(H,29,31)