5-(3,4-diethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

Systemtic Name: 5-(3,4-diethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole Openeye Name: 5-(3,4-diethoxyphenyl)-3-(1-isoquinolyl)-1,2,4-oxadiazole CAS Name: 5-(3,4-diethoxyphenyl)-3-(1-isoquinolinyl)-1,2,4-oxadiazole IUPAC Name: 5-(3,4-diethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole Traditional Name: 5-(3,4-diethoxyphenyl)-3-(1-isoquinolyl)-1,2,4-oxadiazole Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43)OCC

InChI

InChI=1S/C21H19N3O3/c1-3-25-17-10-9-15(13-18(17)26-4-2)21-23-20(24-27-21)19-16-8-6-5-7-14(16)11-12-22-19/h5-13H,3-4H2,1-2H3