[5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-ethyl-5-(piperonylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidino-methanone Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCCC5

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCCC5

InChI

InChI=1S/C22H28N4O3/c1-2-26-18-7-6-16(23-13-15-5-8-19-20(11-15)29-14-28-19)12-17(18)21(24-26)22(27)25-9-3-4-10-25/h5,8,11,16,23H,2-4,6-7,9-10,12-14H2,1H3