[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O3/c22-17-7-5-15(6-8-17)18-11-19(24-23-18)21(27)28-13-20(26)25-10-9-14-3-1-2-4-16(14)12-25/h1-8,11H,9-10,12-13H2,(H,23,24)