tert-butyl (1R)-4-cyano-5-(phenylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl (1R)-4-cyano-5-(phenylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl (1R)-5-benzyl-4-cyano-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1R)-4-cyano-5-(phenylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-5-benzyl-4-cyano-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1R)-5-benzyl-4-cyano-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2(CC1CN2CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2(C[C@@H]1CN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H23N3O2/c1-17(2,3)23-16(22)21-13-18(12-19)9-15(21)11-20(18)10-14-7-5-4-6-8-14/h4-8,15H,9-11,13H2,1-3H3/t15-,18?/m1/s1