ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(3-chlorophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(3-chlorophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(3-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(3-chlorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(3-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-[(piperonylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O4/c1-2-27-21(26)17-11-24-25(16-5-3-4-15(22)9-16)18(17)12-23-10-14-6-7-19-20(8-14)29-13-28-19/h3-9,11,23H,2,10,12-13H2,1H3