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

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-2-29-21(28)25-10-8-24(9-11-25)20(27)17-14-18(19-7-4-12-30-19)26(23-17)16-6-3-5-15(22)13-16/h3-7,12-14H,2,8-11H2,1H3