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

Systemtic Name: 3-cyanopropyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: 3-cyanopropyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid 3-cyanopropyl ester Formula: C18H18FN3O2 MolecularWeight: 327.352823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OCCCC#N

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OCCCC#N

InChI

InChI=1S/C18H18FN3O2/c19-13-7-9-14(10-8-13)22-16-6-2-1-5-15(16)17(21-22)18(23)24-12-4-3-11-20/h7-10H,1-6,12H2