ethyl 4-[2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methoxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O5S/c1-2-32-24(31)27-12-10-26(11-13-27)21(29)17-33-23(30)19-16-28(15-18-7-4-3-5-8-18)25-22(19)20-9-6-14-34-20/h3-9,14,16H,2,10-13,15,17H2,1H3