ethyl 5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylate CAS Name: 5-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[4-(2-furoyl)piperazino]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CN4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CN4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H25N5O4S/c1-2-33-24(32)19-15-26-30(25-27-20(17-35-25)18-7-4-3-5-8-18)21(19)16-28-10-12-29(13-11-28)23(31)22-9-6-14-34-22/h3-9,14-15,17H,2,10-13,16H2,1H3