N-[3-chloranyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)isoquinolin-1-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)isoquinolin-1-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(4-pyridylmethyl)isoquinolin-1-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)-1-isoquinolinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)isoquinolin-1-amine Traditional Name: [3-chloro-5-(trifluoromethyl)phenyl]-[4-(4-pyridylmethyl)-1-isoquinolyl]amine Formula: C22H15ClF3N3 MolecularWeight: 413.82281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2NC3=CC(=CC(=C3)C(F)(F)F)Cl)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2NC3=CC(=CC(=C3)C(F)(F)F)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C22H15ClF3N3/c23-17-10-16(22(24,25)26)11-18(12-17)29-21-20-4-2-1-3-19(20)15(13-28-21)9-14-5-7-27-8-6-14/h1-8,10-13H,9H2,(H,28,29)