N-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpyridin-4-yl)isoquinolin-1-amine

Systemtic Name: N-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpyridin-4-yl)isoquinolin-1-amine Openeye Name: N-(4-tert-butylphenyl)-4-(3-morpholino-4-pyridyl)isoquinolin-1-amine CAS Name: N-(4-tert-butylphenyl)-4-[3-(4-morpholinyl)-4-pyridinyl]-1-isoquinolinamine IUPAC Name: N-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpyridin-4-yl)isoquinolin-1-amine Traditional Name: (4-tert-butylphenyl)-[4-(3-morpholino-4-pyridyl)-1-isoquinolyl]amine Formula: C28H30N4O MolecularWeight: 438.564

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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=C(C=NC=C4)N5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C4=C(C=NC=C4)N5CCOCC5

InChI

InChI=1S/C28H30N4O/c1-28(2,3)20-8-10-21(11-9-20)31-27-24-7-5-4-6-22(24)25(18-30-27)23-12-13-29-19-26(23)32-14-16-33-17-15-32/h4-13,18-19H,14-17H2,1-3H3,(H,30,31)