N-(3-bromanyl-4-ethyl-phenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine

Systemtic Name: N-(3-bromanyl-4-ethyl-phenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Openeye Name: N-(3-bromo-4-ethyl-phenyl)-4-[2-(3-pyridyl)ethyl]isoquinolin-1-amine CAS Name: N-(3-bromo-4-ethylphenyl)-4-[2-(3-pyridinyl)ethyl]-1-isoquinolinamine IUPAC Name: N-(3-bromo-4-ethylphenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Traditional Name: (3-bromo-4-ethyl-phenyl)-[4-[2-(3-pyridyl)ethyl]-1-isoquinolyl]amine Formula: C24H22BrN3 MolecularWeight: 432.35558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CCC4=CN=CC=C4)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CCC4=CN=CC=C4)Br

InChI

InChI=1S/C24H22BrN3/c1-2-18-11-12-20(14-23(18)25)28-24-22-8-4-3-7-21(22)19(16-27-24)10-9-17-6-5-13-26-15-17/h3-8,11-16H,2,9-10H2,1H3,(H,27,28)