(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C23H23N3O3/c27-22(25-14-4-5-15-25)21(19-7-2-1-3-8-19)29-23(28)20-11-9-18(10-12-20)17-26-16-6-13-24-26/h1-3,6-13,16,21H,4-5,14-15,17H2