ethyl 1-(2,5-dimethylphenyl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2,5-dimethylphenyl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,5-dimethylphenyl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-dimethylphenyl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)-5-[[4-(2-hydroxyethyl)piperazino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C)C)CN3CCN(CC3)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C)C)CN3CCN(CC3)CCO

InChI

InChI=1S/C21H30N4O3/c1-4-28-21(27)18-14-22-25(19-13-16(2)5-6-17(19)3)20(18)15-24-9-7-23(8-10-24)11-12-26/h5-6,13-14,26H,4,7-12,15H2,1-3H3