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

Systemtic Name: N,N-diethyl-2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Openeye Name: N,N-diethyl-2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: N,N-diethyl-2-[[1-(4-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-thiazolecarboxamide IUPAC Name: N,N-diethyl-2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: N,N-diethyl-2-[[1-(4-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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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)N(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN3O3S/c1-4-25(32)31-14-13-18-9-12-21(15-22(18)26(31)19-7-10-20(28)11-8-19)34-16-24-29-23(17-35-24)27(33)30(5-2)6-3/h7-12,15,17,26H,4-6,13-14,16H2,1-3H3