tert-butyl (3R,4R)-3-azido-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl (3R,4R)-3-azido-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl (3R,4R)-3-azido-4-benzyloxy-2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: (3R,4R)-3-azido-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-3-azido-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: (3R,4R)-3-azido-4-benzoxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CC(C(C1)N=[N+]=[N-])OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C[C@H]([C@@H](C1)N=[N+]=[N-])OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O3/c1-18(2,3)25-17(23)22-11-7-10-16(15(12-22)20-21-19)24-13-14-8-5-4-6-9-14/h4-10,15-16H,11-13H2,1-3H3/t15-,16-/m1/s1