dimethyl 1-[3-(2-pyridin-4-ylethylamino)propyl]pyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[3-(2-pyridin-4-ylethylamino)propyl]pyrazole-3,5-dicarboxylate Openeye Name: dimethyl 1-[3-[2-(4-pyridyl)ethylamino]propyl]pyrazole-3,5-dicarboxylate CAS Name: 1-[3-(2-pyridin-4-ylethylamino)propyl]pyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[3-(2-pyridin-4-ylethylamino)propyl]pyrazole-3,5-dicarboxylate Traditional Name: 1-[3-[2-(4-pyridyl)ethylamino]propyl]pyrazole-3,5-dicarboxylic acid dimethyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1CCCNCCC2=CC=NC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=NN1CCCNCCC2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O4/c1-24-16(22)14-12-15(17(23)25-2)21(20-14)11-3-7-18-8-4-13-5-9-19-10-6-13/h5-6,9-10,12,18H,3-4,7-8,11H2,1-2H3