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

Systemtic Name: tert-butyl (3S,4R)-3,4-dimethyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4R)-1-benzyl-3,4-dimethyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3S,4R)-3,4-dimethyl-6-oxo-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-1-benzyl-3,4-dimethyl-6-oxodiazinane-3-carboxylate Traditional Name: (3S,4R)-1-benzyl-6-keto-3,4-dimethyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(NC1(C)C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-13-11-15(21)20(12-14-9-7-6-8-10-14)19-18(13,5)16(22)23-17(2,3)4/h6-10,13,19H,11-12H2,1-5H3/t13-,18+/m1/s1