[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H23N3O5/c1-14-10-15(2)26(25-14)19-7-5-18(6-8-19)23(28)31-16(3)22(27)24-12-17-4-9-20-21(11-17)30-13-29-20/h4-11,16H,12-13H2,1-3H3,(H,24,27)