ethyl 4-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S/c1-2-28-21(27)24-12-10-23(11-13-24)20(26)18-15-17(19-9-6-14-29-19)22-25(18)16-7-4-3-5-8-16/h3-9,14-15H,2,10-13H2,1H3