tert-butyl 4-[2-fluoranyl-4-isocyano-5-(propan-2-ylideneamino)oxy-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-isocyano-5-(propan-2-ylideneamino)oxy-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-isocyano-5-(isopropylideneamino)oxy-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-isocyano-5-(propan-2-ylideneamino)oxyphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-isocyano-5-(propan-2-ylideneamino)oxyphenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-isocyano-5-(isopropylideneamino)oxy-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25FN4O3 MolecularWeight: 376.425203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC1=CC(=C(C=C1[N+]#[C-])F)N2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC(=NOC1=CC(=C(C=C1[N+]#[C-])F)N2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H25FN4O3/c1-13(2)22-27-17-12-16(14(20)11-15(17)21-6)23-7-9-24(10-8-23)18(25)26-19(3,4)5/h11-12H,7-10H2,1-5H3