[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O5/c1-15(21(26)23-10-17-7-8-19-20(9-17)29-14-28-19)30-22(27)18-11-24-25(13-18)12-16-5-3-2-4-6-16/h2-9,11,13,15H,10,12,14H2,1H3,(H,23,26)