N-(3-bromanyl-4-tert-butyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine

Systemtic Name: N-(3-bromanyl-4-tert-butyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Openeye Name: N-(3-bromo-4-tert-butyl-phenyl)-4-[(6-methoxy-3-pyridyl)methyl]isoquinolin-1-amine CAS Name: N-(3-bromo-4-tert-butylphenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-1-isoquinolinamine IUPAC Name: N-(3-bromo-4-tert-butylphenyl)-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Traditional Name: (3-bromo-4-tert-butyl-phenyl)-[4-[(6-methoxy-3-pyridyl)methyl]-1-isoquinolyl]amine Formula: C26H26BrN3O MolecularWeight: 476.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

InChI

InChI=1S/C26H26BrN3O/c1-26(2,3)22-11-10-19(14-23(22)27)30-25-21-8-6-5-7-20(21)18(16-29-25)13-17-9-12-24(31-4)28-15-17/h5-12,14-16H,13H2,1-4H3,(H,29,30)