2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N,N-diethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N,N-diethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N,N-diethyl-thiazole-4-carboxamide CAS Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N,N-diethyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N,N-diethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N,N-diethyl-thiazole-4-carboxamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CSC(=N1)COC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

Isomeric SMILES

CCN(CC)C(=O)C1=CSC(=N1)COC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

InChI

InChI=1S/C26H28FN3O3S/c1-4-29(5-2)26(32)23-16-34-24(28-23)15-33-21-10-9-18-11-12-30(17(3)31)25(22(18)14-21)19-7-6-8-20(27)13-19/h6-10,13-14,16,25H,4-5,11-12,15H2,1-3H3