[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N(CCC#N)CCC#N)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N(CCC#N)CCC#N)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H23FN4O4/c22-18-5-3-16(4-6-18)20(28)26-13-7-17(8-14-26)21(29)30-15-19(27)25(11-1-9-23)12-2-10-24/h3-6,17H,1-2,7-8,11-15H2