ethyl 3-[2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]butanoylamino]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]butanoylamino]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-1H-pyrazole-5-carboxylate CAS Name: 3-[[2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-1H-pyrazole-5-carboxylate Traditional Name: 3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C18H20F2N4O4 MolecularWeight: 394.372606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NNC(=C1)C(=O)OCC)NC(=O)CC2=CC(=CC(=C2)F)F

Isomeric SMILES

CCC(C(=O)NC1=NNC(=C1)C(=O)OCC)NC(=O)CC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C18H20F2N4O4/c1-3-13(21-16(25)7-10-5-11(19)8-12(20)6-10)17(26)22-15-9-14(23-24-15)18(27)28-4-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,21,25)(H2,22,23,24,26)