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

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-methyl-5-(piperonylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C21H26N4O3S/c1-24-17-4-3-15(22-12-14-2-5-18-19(10-14)28-13-27-18)11-16(17)20(23-24)21(26)25-6-8-29-9-7-25/h2,5,10,15,22H,3-4,6-9,11-13H2,1H3