ethyl 4-[2-(3-chlorophenyl)-5-(5-methylfuran-2-yl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-chlorophenyl)-5-(5-methylfuran-2-yl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-chlorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(3-chlorophenyl)-5-(5-methyl-2-furanyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chlorophenyl)-5-(5-methylfuran-2-yl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=C(O4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=C(O4)C

InChI

InChI=1S/C22H23ClN4O4/c1-3-30-22(29)26-11-9-25(10-12-26)21(28)19-14-18(20-8-7-15(2)31-20)24-27(19)17-6-4-5-16(23)13-17/h4-8,13-14H,3,9-12H2,1-2H3