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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(3-pyridyl)-1-piperidyl]methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(3-pyridinyl)-1-piperidinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-(3-pyridyl)piperidino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CN4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CN4CCCCC4C5=CN=CC=C5

InChI

InChI=1S/C25H28N4O4/c1-2-31-25(30)20-16-27-29(19-8-9-23-24(14-19)33-13-12-32-23)22(20)17-28-11-4-3-7-21(28)18-6-5-10-26-15-18/h5-6,8-10,14-16,21H,2-4,7,11-13,17H2,1H3