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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c23-11-10-20(27)24-18-8-6-17(7-9-18)22(29)30-16-21(28)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-9H,10,12-16H2,(H,24,27)