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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-cyanobenzoate Traditional Name: 4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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