tert-butyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-5-cyclopropyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-5-cyclopropyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-5-cyclopropyl-pyrazole-1-carboxylate CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-5-cyclopropyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-5-cyclopropylpyrazole-1-carboxylate Traditional Name: 5-cyclopropyl-3-(piperonylcarbamoylamino)pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)NC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)NC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC4

InChI

InChI=1S/C20H24N4O5/c1-20(2,3)29-19(26)24-14(13-5-6-13)9-17(23-24)22-18(25)21-10-12-4-7-15-16(8-12)28-11-27-15/h4,7-9,13H,5-6,10-11H2,1-3H3,(H2,21,22,23,25)