N-(4-tert-butylphenyl)-4-isoquinolin-7-yl-isoquinolin-1-amine

Systemtic Name: N-(4-tert-butylphenyl)-4-isoquinolin-7-yl-isoquinolin-1-amine Openeye Name: N-(4-tert-butylphenyl)-4-(7-isoquinolyl)isoquinolin-1-amine CAS Name: N-(4-tert-butylphenyl)-4-(7-isoquinolinyl)-1-isoquinolinamine IUPAC Name: N-(4-tert-butylphenyl)-4-isoquinolin-7-ylisoquinolin-1-amine Traditional Name: (4-tert-butylphenyl)-[4-(7-isoquinolyl)-1-isoquinolyl]amine Formula: C28H25N3 MolecularWeight: 403.5182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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