tert-butyl (3S,4R,5S)-3,4,5-trimethyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate

Systemtic Name: tert-butyl (3S,4R,5S)-3,4,5-trimethyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4R,5S)-1-benzyl-3,4,5-trimethyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3S,4R,5S)-3,4,5-trimethyl-6-oxo-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R,5S)-1-benzyl-3,4,5-trimethyl-6-oxodiazinane-3-carboxylate Traditional Name: (3S,4R,5S)-1-benzyl-6-keto-3,4,5-trimethyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NN(C1=O)CC2=CC=CC=C2)(C)C(=O)OC(C)(C)C)C

Isomeric SMILES

C[C@H]1[C@H]([C@@](NN(C1=O)CC2=CC=CC=C2)(C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H28N2O3/c1-13-14(2)19(6,17(23)24-18(3,4)5)20-21(16(13)22)12-15-10-8-7-9-11-15/h7-11,13-14,20H,12H2,1-6H3/t13-,14+,19-/m0/s1