N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-2-fluoro-benzamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-thiazolyl]-2-fluorobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-2-fluoro-benzamide Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CSC(=N3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CSC(=N3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H16FN3O2S/c21-16-8-4-3-7-15(16)18(25)23-20-22-17(12-27-20)19(26)24-10-9-13-5-1-2-6-14(13)11-24/h1-8,12H,9-11H2,(H,22,23,25)