ethyl 4-[[3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-(2-hydroxyethyl)-4-isopropyl-piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-(2-hydroxyethyl)-4-isopropyl-piperazino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C16H28N4O3 MolecularWeight: 324.41852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)C(C)C

InChI

InChI=1S/C16H28N4O3/c1-4-23-16(22)15-13(9-17-18-15)10-19-6-7-20(12(2)3)14(11-19)5-8-21/h9,12,14,21H,4-8,10-11H2,1-3H3,(H,17,18)