2,6-bis(fluoranyl)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2,6-difluoro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2,6-difluoro-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2,6-difluoro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2,6-difluoro-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C21H16F2N2O2S MolecularWeight: 398.425746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H16F2N2O2S/c22-16-3-1-4-17(23)19(16)20(26)24-15-7-6-13-8-9-25(12-14(13)11-15)21(27)18-5-2-10-28-18/h1-7,10-11H,8-9,12H2,(H,24,26)