N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-piperonyl-4,5,6,7-tetrahydroindazole-3-carboxamide 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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20FN3O3/c23-15-6-8-16(9-7-15)26-18-4-2-1-3-17(18)21(25-26)22(27)24-12-14-5-10-19-20(11-14)29-13-28-19/h5-11H,1-4,12-13H2,(H,24,27)