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

Systemtic Name: 2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Openeye Name: N-allyl-2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: 2-[[1-(4-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-4-thiazolecarboxamide IUPAC Name: 2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Traditional Name: N-allyl-2-[[1-(4-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC=C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC=C

InChI

InChI=1S/C26H26FN3O3S/c1-3-12-28-26(32)22-16-34-23(29-22)15-33-20-10-7-17-11-13-30(24(31)4-2)25(21(17)14-20)18-5-8-19(27)9-6-18/h3,5-10,14,16,25H,1,4,11-13,15H2,2H3,(H,28,32)