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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-morpholin-4-ylethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-morpholinoethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(4-morpholinyl)ethylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-morpholin-4-ylethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-morpholinoethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCCN4CCOCC4

InChI

InChI=1S/C21H28N4O5/c1-2-28-21(26)17-14-23-25(16-3-4-19-20(13-16)30-12-11-29-19)18(17)15-22-5-6-24-7-9-27-10-8-24/h3-4,13-14,22H,2,5-12,15H2,1H3