2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(2-chloranyl-4-fluoranyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: 2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(2-chloranyl-4-fluoranyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: 2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(2-chloro-4-fluoro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(2-chloro-4-fluorophenyl)-oxomethyl]-1-piperazinecarboxylic acid 2-(3,5-diphenyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(2-chloro-4-fluorobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-benzoyl)piperazine-1-carboxylic acid 2-(3,5-diphenylpyrazol-1-yl)ethyl ester Formula: C29H26ClFN4O3 MolecularWeight: 532.993143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)F)Cl)C(=O)OCCN3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)F)Cl)C(=O)OCCN3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26ClFN4O3/c30-25-19-23(31)11-12-24(25)28(36)33-13-15-34(16-14-33)29(37)38-18-17-35-27(22-9-5-2-6-10-22)20-26(32-35)21-7-3-1-4-8-21/h1-12,19-20H,13-18H2