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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1,2-oxazol-3-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(isoxazol-3-ylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-isoxazolylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1,2-oxazol-3-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(isoxazol-3-ylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c1-2-25-19(24)15-11-21-23(16(15)12-20-10-13-5-6-28-22-13)14-3-4-17-18(9-14)27-8-7-26-17/h3-6,9,11,20H,2,7-8,10,12H2,1H3