1-[4-(5-hept-1-ynyl-4-pentyl-1,2,3-triazol-1-yl)phenyl]ethanone

Systemtic Name: 1-[4-(5-hept-1-ynyl-4-pentyl-1,2,3-triazol-1-yl)phenyl]ethanone Openeye Name: 1-[4-(5-hept-1-ynyl-4-pentyl-triazol-1-yl)phenyl]ethanone CAS Name: 1-[4-(5-hept-1-ynyl-4-pentyl-1-triazolyl)phenyl]ethanone IUPAC Name: 1-[4-(5-hept-1-ynyl-4-pentyltriazol-1-yl)phenyl]ethanone Traditional Name: 1-[4-(4-amyl-5-hept-1-ynyl-triazol-1-yl)phenyl]ethanone Formula: C22H29N3O MolecularWeight: 351.48516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(N=NN1C2=CC=C(C=C2)C(=O)C)CCCCC

Isomeric SMILES

CCCCCC#CC1=C(N=NN1C2=CC=C(C=C2)C(=O)C)CCCCC

InChI

InChI=1S/C22H29N3O/c1-4-6-8-9-11-13-22-21(12-10-7-5-2)23-24-25(22)20-16-14-19(15-17-20)18(3)26/h14-17H,4-10,12H2,1-3H3