2-[4-[(3-fluorophenyl)methyl]-5-methyl-3-propan-2-yl-pyrazol-1-yl]butanoate

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]-5-methyl-3-propan-2-yl-pyrazol-1-yl]butanoate Openeye Name: 2-[4-[(3-fluorophenyl)methyl]-3-isopropyl-5-methyl-pyrazol-1-yl]butanoate CAS Name: 2-[4-[(3-fluorophenyl)methyl]-5-methyl-3-propan-2-yl-1-pyrazolyl]butanoate IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]-5-methyl-3-propan-2-ylpyrazol-1-yl]butanoate Traditional Name: 2-[4-(3-fluorobenzyl)-3-isopropyl-5-methyl-pyrazol-1-yl]butyrate Formula: C18H22FN2O2- MolecularWeight: 317.377883

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O2/c1-5-16(18(22)23)21-12(4)15(17(20-21)11(2)3)10-13-7-6-8-14(19)9-13/h6-9,11,16H,5,10H2,1-4H3,(H,22,23)/p-1