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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-2-ylethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(2-pyridyl)ethylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(2-pyridinyl)ethylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-2-ylethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(2-pyridyl)ethylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCCC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCCC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O4/c1-2-28-22(27)18-14-25-26(17-6-7-20-21(13-17)30-12-11-29-20)19(18)15-23-10-8-16-5-3-4-9-24-16/h3-7,9,13-14,23H,2,8,10-12,15H2,1H3