[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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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=C4)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-16(2)14-27-22-19(17(3)24-27)13-20(31-22)23(29)30-15-21(28)26-11-9-25(10-12-26)18-7-5-4-6-8-18/h4-8,13,16H,9-12,14-15H2,1-3H3