(2-oxidanylideneazepan-3-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN3O3/c21-13-8-10-14(11-9-13)24-16-6-2-1-5-15(16)18(23-24)20(26)27-17-7-3-4-12-22-19(17)25/h8-11,17H,1-7,12H2,(H,22,25)