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

Systemtic Name: 5-(3-chlorophenyl)-3-(4-isoquinolin-5-ylphthalazin-1-yl)-1,2,4-oxadiazole Openeye Name: 5-(3-chlorophenyl)-3-[4-(5-isoquinolyl)phthalazin-1-yl]-1,2,4-oxadiazole CAS Name: 5-(3-chlorophenyl)-3-[4-(5-isoquinolinyl)-1-phthalazinyl]-1,2,4-oxadiazole IUPAC Name: 5-(3-chlorophenyl)-3-(4-isoquinolin-5-ylphthalazin-1-yl)-1,2,4-oxadiazole Traditional Name: 5-(3-chlorophenyl)-3-[4-(5-isoquinolyl)phthalazin-1-yl]-1,2,4-oxadiazole Formula: C25H14ClN5O MolecularWeight: 435.86456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2C3=NOC(=N3)C4=CC(=CC=C4)Cl)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2C3=NOC(=N3)C4=CC(=CC=C4)Cl)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C25H14ClN5O/c26-17-7-3-5-15(13-17)25-28-24(31-32-25)23-21-9-2-1-8-20(21)22(29-30-23)19-10-4-6-16-14-27-12-11-18(16)19/h1-14H