N-[3-bromanyl-5-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine

Systemtic Name: N-[3-bromanyl-5-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Openeye Name: N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[2-(3-pyridyl)ethyl]isoquinolin-1-amine CAS Name: N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[2-(3-pyridinyl)ethyl]-1-isoquinolinamine IUPAC Name: N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Traditional Name: [3-bromo-5-(trifluoromethyl)phenyl]-[4-[2-(3-pyridyl)ethyl]-1-isoquinolyl]amine Formula: C23H17BrF3N3 MolecularWeight: 472.30039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2NC3=CC(=CC(=C3)C(F)(F)F)Br)CCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2NC3=CC(=CC(=C3)C(F)(F)F)Br)CCC4=CN=CC=C4

InChI

InChI=1S/C23H17BrF3N3/c24-18-10-17(23(25,26)27)11-19(12-18)30-22-21-6-2-1-5-20(21)16(14-29-22)8-7-15-4-3-9-28-13-15/h1-6,9-14H,7-8H2,(H,29,30)