4-hexyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide

Systemtic Name: 4-hexyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide Openeye Name: 4-hexyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide CAS Name: 4-hexyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide IUPAC Name: 4-hexyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide Traditional Name: 4-hexyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

InChI

InChI=1S/C22H25N5O3/c1-2-3-4-5-7-15-10-12-16(13-11-15)22(28)23-17-8-6-9-18-20(17)30-19(14-29-18)21-24-26-27-25-21/h6,8-13,19H,2-5,7,14H2,1H3,(H,23,28)(H,24,25,26,27)