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

Systemtic Name: ethyl 1-(2,5-dimethylphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,5-dimethylphenyl)-5-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-5-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-dimethylphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)-5-[[4-(2-pyridylmethyl)piperazino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H31N5O2 MolecularWeight: 433.54594

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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)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C)C)CN3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H31N5O2/c1-4-32-25(31)22-16-27-30(23-15-19(2)8-9-20(23)3)24(22)18-29-13-11-28(12-14-29)17-21-7-5-6-10-26-21/h5-10,15-16H,4,11-14,17-18H2,1-3H3