[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H22N4O3/c27-21(24-18-6-10-19(11-7-18)25-13-1-2-14-25)16-29-22(28)17-4-8-20(9-5-17)26-15-3-12-23-26/h3-12,15H,1-2,13-14,16H2,(H,24,27)