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

Systemtic Name: ethyl 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-(2-hydroxyethyl)-4-(o-tolylmethyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-(2-hydroxyethyl)-4-(2-methylbenzyl)piperazino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=CC=C3C

InChI

InChI=1S/C21H30N4O3/c1-3-28-21(27)20-18(12-22-23-20)13-24-9-10-25(19(15-24)8-11-26)14-17-7-5-4-6-16(17)2/h4-7,12,19,26H,3,8-11,13-15H2,1-2H3,(H,22,23)