2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C26H23FN4OS MolecularWeight: 458.550423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=N3)SCC(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=N3)SCC(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H23FN4OS/c27-21-11-9-18(10-12-21)15-28-24(32)17-33-25-22-7-3-4-8-23(22)29-26(30-25)31-14-13-19-5-1-2-6-20(19)16-31/h1-12H,13-17H2,(H,28,32)