N-(4-tert-butylphenyl)-4-isoquinolin-5-yl-phthalazin-1-amine

Systemtic Name: N-(4-tert-butylphenyl)-4-isoquinolin-5-yl-phthalazin-1-amine Openeye Name: N-(4-tert-butylphenyl)-4-(5-isoquinolyl)phthalazin-1-amine CAS Name: N-(4-tert-butylphenyl)-4-(5-isoquinolinyl)-1-phthalazinamine IUPAC Name: N-(4-tert-butylphenyl)-4-isoquinolin-5-ylphthalazin-1-amine Traditional Name: (4-tert-butylphenyl)-[4-(5-isoquinolyl)phthalazin-1-yl]amine Formula: C27H24N4 MolecularWeight: 404.50626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H24N4/c1-27(2,3)19-11-13-20(14-12-19)29-26-24-9-5-4-8-23(24)25(30-31-26)22-10-6-7-18-17-28-16-15-21(18)22/h4-17H,1-3H3,(H,29,31)