N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-5-isopropyl-pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-5-isopropyl-pyrazole-4-carboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22FN3O3/c1-14(2)21-18(13-25-26(21)17-6-4-16(23)5-7-17)22(27)24-12-15-3-8-19-20(11-15)29-10-9-28-19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,24,27)