tert-butyl 4-cyano-4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-cyano-4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-cyano-4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-cyano-4-[4-[(Z)-ethoxyimino-(4-fluorophenyl)methyl]-1-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-cyano-4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]piperidino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35FN4O3 MolecularWeight: 458.568803

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)OC(C)(C)C)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)OC(C)(C)C)C#N)\C3=CC=C(C=C3)F

InChI

InChI=1S/C25H35FN4O3/c1-5-32-28-22(19-6-8-21(26)9-7-19)20-10-14-30(15-11-20)25(18-27)12-16-29(17-13-25)23(31)33-24(2,3)4/h6-9,20H,5,10-17H2,1-4H3/b28-22+