2-[4-[[3,5-bis(fluoranyl)phenyl]methyl]-5-methyl-3-propan-2-yl-pyrazol-1-yl]butanoate

Systemtic Name: 2-[4-[[3,5-bis(fluoranyl)phenyl]methyl]-5-methyl-3-propan-2-yl-pyrazol-1-yl]butanoate Openeye Name: 2-[4-[(3,5-difluorophenyl)methyl]-3-isopropyl-5-methyl-pyrazol-1-yl]butanoate CAS Name: 2-[4-[(3,5-difluorophenyl)methyl]-5-methyl-3-propan-2-yl-1-pyrazolyl]butanoate IUPAC Name: 2-[4-[(3,5-difluorophenyl)methyl]-5-methyl-3-propan-2-ylpyrazol-1-yl]butanoate Traditional Name: 2-[4-(3,5-difluorobenzyl)-3-isopropyl-5-methyl-pyrazol-1-yl]butyrate Formula: C18H21F2N2O2- MolecularWeight: 335.368346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=C(C(=N1)C(C)C)CC2=CC(=CC(=C2)F)F)C

Isomeric SMILES

CCC(C(=O)[O-])N1C(=C(C(=N1)C(C)C)CC2=CC(=CC(=C2)F)F)C

InChI

InChI=1S/C18H22F2N2O2/c1-5-16(18(23)24)22-11(4)15(17(21-22)10(2)3)8-12-6-13(19)9-14(20)7-12/h6-7,9-10,16H,5,8H2,1-4H3,(H,23,24)/p-1