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

Systemtic Name: 5-(3-chlorophenyl)-3-(4-isoquinolin-5-ylphthalazin-1-yl)-1,2-oxazole Openeye Name: 5-(3-chlorophenyl)-3-[4-(5-isoquinolyl)phthalazin-1-yl]isoxazole CAS Name: 5-(3-chlorophenyl)-3-[4-(5-isoquinolinyl)-1-phthalazinyl]isoxazole IUPAC Name: 5-(3-chlorophenyl)-3-(4-isoquinolin-5-ylphthalazin-1-yl)-1,2-oxazole Traditional Name: 5-(3-chlorophenyl)-3-[4-(5-isoquinolyl)phthalazin-1-yl]isoxazole Formula: C26H15ClN4O MolecularWeight: 434.8765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2C3=NOC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2C3=NOC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C26H15ClN4O/c27-18-7-3-5-16(13-18)24-14-23(31-32-24)26-22-9-2-1-8-21(22)25(29-30-26)20-10-4-6-17-15-28-12-11-19(17)20/h1-15H