[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O3/c1-15(21(27)25-11-10-16-4-2-3-5-17(16)13-25)29-22(28)20-12-24-14-26(20)19-8-6-18(23)7-9-19/h2-9,12,14-15H,10-11,13H2,1H3