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

Systemtic Name: ethyl 4-[[3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[4-benzyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-(2-hydroxyethyl)-4-(phenylmethyl)-1-piperazinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-benzyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[4-benzyl-3-(2-hydroxyethyl)piperazino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3/c1-2-27-20(26)19-17(12-21-22-19)14-23-9-10-24(18(15-23)8-11-25)13-16-6-4-3-5-7-16/h3-7,12,18,25H,2,8-11,13-15H2,1H3,(H,21,22)