3-[(3-butylphenyl)methyl]-5-(4-pyridin-2-ylbut-3-ynyl)-1,2,4-oxadiazole

Systemtic Name: 3-[(3-butylphenyl)methyl]-5-(4-pyridin-2-ylbut-3-ynyl)-1,2,4-oxadiazole Openeye Name: 3-[(3-butylphenyl)methyl]-5-[4-(2-pyridyl)but-3-ynyl]-1,2,4-oxadiazole CAS Name: 3-[(3-butylphenyl)methyl]-5-[4-(2-pyridinyl)but-3-ynyl]-1,2,4-oxadiazole IUPAC Name: 3-[(3-butylphenyl)methyl]-5-(4-pyridin-2-ylbut-3-ynyl)-1,2,4-oxadiazole Traditional Name: 3-(3-butylbenzyl)-5-[4-(2-pyridyl)but-3-ynyl]-1,2,4-oxadiazole Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)CC2=NOC(=N2)CCC#CC3=CC=CC=N3

Isomeric SMILES

CCCCC1=CC=CC(=C1)CC2=NOC(=N2)CCC#CC3=CC=CC=N3

InChI

InChI=1S/C22H23N3O/c1-2-3-9-18-10-8-11-19(16-18)17-21-24-22(26-25-21)14-5-4-12-20-13-6-7-15-23-20/h6-8,10-11,13,15-16H,2-3,5,9,14,17H2,1H3