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

Systemtic Name: 1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17FN2O4/c22-13-5-7-14(8-6-13)24-17-4-2-1-3-16(17)20(23-24)21(25)28-15-9-10-18-19(11-15)27-12-26-18/h5-11H,1-4,12H2