2-[(5-isoquinolin-1-yl-2-oxidanylidene-1,3,4-oxadiazol-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-isoquinolin-1-yl-2-oxidanylidene-1,3,4-oxadiazol-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[[5-(1-isoquinolyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile CAS Name: 2-[[5-(1-isoquinolinyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile IUPAC Name: 2-[(5-isoquinolin-1-yl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]benzonitrile Traditional Name: 2-[[5-(1-isoquinolyl)-2-keto-1,3,4-oxadiazol-3-yl]methyl]benzonitrile Formula: C19H12N4O2 MolecularWeight: 328.32418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=NN(C(=O)O3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=NN(C(=O)O3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C19H12N4O2/c20-11-14-6-1-2-7-15(14)12-23-19(24)25-18(22-23)17-16-8-4-3-5-13(16)9-10-21-17/h1-10H,12H2