N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=C4C(=CC(=C3)F)COCO4

InChI

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