[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3S/c1-18-20-15-21(34-24(20)30(27-18)16-19-7-3-2-4-8-19)25(32)33-17-23(31)29-13-11-28(12-14-29)22-9-5-6-10-26-22/h2-10,15H,11-14,16-17H2,1H3