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

Systemtic Name: tert-butyl (3S,4R,5R)-2-ethanoyl-4,5-dimethyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4R,5R)-2-acetyl-1-benzyl-4,5-dimethyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3S,4R,5R)-2-acetyl-4,5-dimethyl-6-oxo-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R,5R)-2-acetyl-1-benzyl-4,5-dimethyl-6-oxodiazinane-3-carboxylate Traditional Name: (3S,4R,5R)-2-acetyl-1-benzyl-6-keto-4,5-dimethyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N(C1C(=O)OC(C)(C)C)C(=O)C)CC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-13-14(2)18(24)21(12-16-10-8-7-9-11-16)22(15(3)23)17(13)19(25)26-20(4,5)6/h7-11,13-14,17H,12H2,1-6H3/t13-,14-,17+/m1/s1