(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H20FN3O3/c23-15-10-12-16(13-11-15)26-18-9-5-4-8-17(18)19(25-26)22(28)29-20(21(24)27)14-6-2-1-3-7-14/h1-3,6-7,10-13,20H,4-5,8-9H2,(H2,24,27)