[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 1-(4-chlorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclobutanecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclobutanecarboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O3/c23-18-9-7-17(8-10-18)22(12-4-13-22)21(27)28-15-20(26)25-14-11-19(24-25)16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2