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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-morpholin-4-ylpropylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-morpholinopropylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[3-(4-morpholinyl)propylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-morpholin-4-ylpropylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-morpholinopropylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCCCN4CCOCC4

InChI

InChI=1S/C22H30N4O5/c1-2-29-22(27)18-15-24-26(17-4-5-20-21(14-17)31-13-12-30-20)19(18)16-23-6-3-7-25-8-10-28-11-9-25/h4-5,14-15,23H,2-3,6-13,16H2,1H3