5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-5-oxopentanoate Traditional Name: 5-[[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]amino]-5-keto-valerate Formula: C17H18ClFN3O3- MolecularWeight: 366.794523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C17H19ClFN3O3/c1-10-17(20-15(23)7-4-8-16(24)25)11(2)22(21-10)9-12-13(18)5-3-6-14(12)19/h3,5-6H,4,7-9H2,1-2H3,(H,20,23)(H,24,25)/p-1