3-(1,3-benzodioxol-5-yl)-N-hexyl-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-hexyl-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-hexyl-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-hexyl-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-hexyl-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-hexyl-1H-pyrazole-5-carboxamide Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N3O3/c1-2-3-4-5-8-18-17(21)14-10-13(19-20-14)12-6-7-15-16(9-12)23-11-22-15/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,21)(H,19,20)