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

Systemtic Name: tert-butyl (3S,4R)-2-ethanoyl-4-methyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4R)-2-acetyl-1-benzyl-4-methyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3S,4R)-2-acetyl-4-methyl-6-oxo-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-2-acetyl-1-benzyl-4-methyl-6-oxodiazinane-3-carboxylate Traditional Name: (3S,4R)-2-acetyl-1-benzyl-6-keto-4-methyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N(C1C(=O)OC(C)(C)C)C(=O)C)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-13-11-16(23)20(12-15-9-7-6-8-10-15)21(14(2)22)17(13)18(24)25-19(3,4)5/h6-10,13,17H,11-12H2,1-5H3/t13-,17+/m1/s1