3-[5-(5-ethanoylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(isoquinolin-5-ylmethyl)-N-methyl-propanamide

Systemtic Name: 3-[5-(5-ethanoylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(isoquinolin-5-ylmethyl)-N-methyl-propanamide Openeye Name: 3-[5-(5-acetyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-(5-isoquinolylmethyl)-N-methyl-propanamide CAS Name: 3-[5-(5-acetyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-(5-isoquinolinylmethyl)-N-methylpropanamide IUPAC Name: 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide Traditional Name: 3-[5-(5-acetyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-(5-isoquinolylmethyl)-N-methyl-propionamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=NN=C(O2)CCC(=O)N(C)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=NN=C(O2)CCC(=O)N(C)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H20N4O3S/c1-14(27)18-6-7-19(30-18)22-25-24-20(29-22)8-9-21(28)26(2)13-16-5-3-4-15-12-23-11-10-17(15)16/h3-7,10-12H,8-9,13H2,1-2H3