ethyl 4-[[3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=CC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCN(C(C2)CCO)CC3=CC=CC(=N3)C

InChI

InChI=1S/C20H29N5O3/c1-3-28-20(27)19-16(11-21-23-19)12-24-8-9-25(18(14-24)7-10-26)13-17-6-4-5-15(2)22-17/h4-6,11,18,26H,3,7-10,12-14H2,1-2H3,(H,21,23)