7-morpholin-4-yl-3-pyridin-4-yl-4H-isoquinolin-1-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-morpholin-4-yl-3-pyridin-4-yl-4H-isoquinolin-1-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-morpholino-3-(4-pyridyl)-4H-isoquinolin-1-one; 2,2,2-trifluoroacetic acid CAS Name: 7-(4-morpholinyl)-3-pyridin-4-yl-4H-isoquinolin-1-one; 2,2,2-trifluoroacetic acid IUPAC Name: 7-morpholin-4-yl-3-pyridin-4-yl-4H-isoquinolin-1-one; 2,2,2-trifluoroacetic acid Traditional Name: 7-morpholino-3-(4-pyridyl)-4H-isoquinolin-1-one; 2,2,2-trifluoroacetic acid Formula: C22H19F6N3O6 MolecularWeight: 535.393179

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(CC(=NC3=O)C4=CC=NC=C4)C=C2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1COCCN1C2=CC3=C(CC(=NC3=O)C4=CC=NC=C4)C=C2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H17N3O2.2C2HF3O2/c22-18-16-12-15(21-7-9-23-10-8-21)2-1-14(16)11-17(20-18)13-3-5-19-6-4-13;2*3-2(4,5)1(6)7/h1-6,12H,7-11H2;2*(H,6,7)