tert-butyl 2-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 2-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 2-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 2-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H30FN3O4 MolecularWeight: 443.511103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCNCC1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCNCC1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C24H30FN3O4/c1-24(2,3)32-23(30)28-13-7-12-26-15-21(28)19-11-10-18(14-20(19)25)27-22(29)31-16-17-8-5-4-6-9-17/h4-6,8-11,14,21,26H,7,12-13,15-16H2,1-3H3,(H,27,29)