[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3O3/c21-14-16-5-4-6-17(13-16)20(25)26-15-19(24)23-11-9-22(10-12-23)18-7-2-1-3-8-18/h1-8,13H,9-12,15H2