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

Systemtic Name: N-(4-tert-butylphenyl)-4-isoquinolin-4-yl-isoquinolin-1-amine Openeye Name: N-(4-tert-butylphenyl)-4-(4-isoquinolyl)isoquinolin-1-amine CAS Name: N-(4-tert-butylphenyl)-4-(4-isoquinolinyl)-1-isoquinolinamine IUPAC Name: N-(4-tert-butylphenyl)-4-isoquinolin-4-ylisoquinolin-1-amine Traditional Name: (4-tert-butylphenyl)-[4-(4-isoquinolyl)-1-isoquinolyl]amine Formula: C28H25N3 MolecularWeight: 403.5182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C4=CN=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C28H25N3/c1-28(2,3)20-12-14-21(15-13-20)31-27-24-11-7-6-10-23(24)26(18-30-27)25-17-29-16-19-8-4-5-9-22(19)25/h4-18H,1-3H3,(H,30,31)