N-[[(2R)-7-fluoranyl-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide

Systemtic Name: N-[[(2R)-7-fluoranyl-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Openeye Name: N-[[(2R)-7-fluoro-5-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: N-[[(2R)-7-fluoro-5-(3-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: N-[[(2R)-7-fluoro-5-(3-pyridyl)coumaran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CN=CC=C4)F)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CN=CC=C4)F)C

InChI

InChI=1S/C22H23FN4O2/c1-3-5-17-11-20(27(2)26-17)22(28)25-13-18-9-16-8-15(10-19(23)21(16)29-18)14-6-4-7-24-12-14/h4,6-8,10-12,18H,3,5,9,13H2,1-2H3,(H,25,28)/t18-/m1/s1