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

Systemtic Name: 3-[(3-propan-2-ylphenyl)methyl]-5-(4-pyridin-2-ylbut-3-ynyl)-1,2,4-oxadiazole Openeye Name: 3-[(3-isopropylphenyl)methyl]-5-[4-(2-pyridyl)but-3-ynyl]-1,2,4-oxadiazole CAS Name: 3-[(3-propan-2-ylphenyl)methyl]-5-[4-(2-pyridinyl)but-3-ynyl]-1,2,4-oxadiazole IUPAC Name: 3-[(3-propan-2-ylphenyl)methyl]-5-(4-pyridin-2-ylbut-3-ynyl)-1,2,4-oxadiazole Traditional Name: 3-(3-isopropylbenzyl)-5-[4-(2-pyridyl)but-3-ynyl]-1,2,4-oxadiazole Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c1-16(2)18-9-7-8-17(14-18)15-20-23-21(25-24-20)12-4-3-10-19-11-5-6-13-22-19/h5-9,11,13-14,16H,4,12,15H2,1-2H3