(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC=C(C=C2)N3CCCC3=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC=C(C=C2)N3CCCC3=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3/c1-15-19(21(23)26(24-15)18-6-3-2-4-7-18)14-29-22(28)16-9-11-17(12-10-16)25-13-5-8-20(25)27/h2-4,6-7,9-12H,5,8,13-14H2,1H3