tert-butyl 2-[(3S)-3-azido-3-(4-fluorophenyl)-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S)-3-azido-3-(4-fluorophenyl)-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S)-3-azido-3-(4-fluorophenyl)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S)-3-azido-3-(4-fluorophenyl)-2-oxo-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S)-3-azido-3-(4-fluorophenyl)-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S)-3-azido-3-(4-fluorophenyl)-2-keto-azepan-1-yl]acetic acid tert-butyl ester Formula: C18H23FN4O3 MolecularWeight: 362.398623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCCCC(C1=O)(C2=CC=C(C=C2)F)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCCC[C@@](C1=O)(C2=CC=C(C=C2)F)N=[N+]=[N-]

InChI

InChI=1S/C18H23FN4O3/c1-17(2,3)26-15(24)12-23-11-5-4-10-18(16(23)25,21-22-20)13-6-8-14(19)9-7-13/h6-9H,4-5,10-12H2,1-3H3/t18-/m0/s1