ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-pyridylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-pyridinylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-pyridylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O4/c1-2-27-21(26)17-13-24-25(16-5-6-19-20(10-16)29-9-8-28-19)18(17)14-23-12-15-4-3-7-22-11-15/h3-7,10-11,13,23H,2,8-9,12,14H2,1H3