N-(3-tert-butylphenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine

Systemtic Name: N-(3-tert-butylphenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Openeye Name: N-(3-tert-butylphenyl)-4-[2-(3-pyridyl)ethyl]isoquinolin-1-amine CAS Name: N-(3-tert-butylphenyl)-4-[2-(3-pyridinyl)ethyl]-1-isoquinolinamine IUPAC Name: N-(3-tert-butylphenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Traditional Name: (3-tert-butylphenyl)-[4-[2-(3-pyridyl)ethyl]-1-isoquinolyl]amine Formula: C26H27N3 MolecularWeight: 381.51268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC2=NC=C(C3=CC=CC=C32)CCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC2=NC=C(C3=CC=CC=C32)CCC4=CN=CC=C4

InChI

InChI=1S/C26H27N3/c1-26(2,3)21-9-6-10-22(16-21)29-25-24-12-5-4-11-23(24)20(18-28-25)14-13-19-8-7-15-27-17-19/h4-12,15-18H,13-14H2,1-3H3,(H,28,29)