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

Systemtic Name: ethyl 4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[1-phenyl-3-(2-thienyl)pyrazole-4-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=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

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