N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-isoquinolylamino)pyridine-3-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-isoquinolinylamino)-3-pyridinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-isoquinolylamino)nicotinamide Formula: C22H14ClF3N4O MolecularWeight: 442.82097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NC2=CC3=C(C=C2)C=CN=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)NC2=CC3=C(C=C2)C=CN=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H14ClF3N4O/c23-19-6-5-16(11-18(19)22(24,25)26)30-21(31)17-2-1-8-28-20(17)29-15-4-3-13-7-9-27-12-14(13)10-15/h1-12H,(H,28,29)(H,30,31)