[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4/c1-20-12-13-24(35-20)26-23(18-31(28-26)22-10-6-3-7-11-22)27(33)34-19-25(32)30-16-14-29(15-17-30)21-8-4-2-5-9-21/h2-13,18H,14-17,19H2,1H3