(1-phenylpyrazol-4-yl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3/c25-20-7-4-12-23(20)18-10-8-17(9-11-18)21(26)27-15-16-13-22-24(14-16)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-14H,4,7,12,15H2