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

Systemtic Name: 2-[[2-cyclopentylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Openeye Name: N-allyl-2-[[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: 2-[[2-[cyclopentyl(oxo)methyl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Traditional Name: N-allyl-2-[[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C29H30FN3O3S MolecularWeight: 519.630203

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CSC(=N1)COC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CCCC5)C=C2

Isomeric SMILES

C=CCNC(=O)C1=CSC(=N1)COC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CCCC5)C=C2

InChI

InChI=1S/C29H30FN3O3S/c1-2-14-31-28(34)25-18-37-26(32-25)17-36-23-12-9-19-13-15-33(29(35)21-5-3-4-6-21)27(24(19)16-23)20-7-10-22(30)11-8-20/h2,7-12,16,18,21,27H,1,3-6,13-15,17H2,(H,31,34)