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

Systemtic Name: tert-butyl (3S,4R,5R)-4,5-dimethyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4R,5R)-1-benzyl-4,5-dimethyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3S,4R,5R)-4,5-dimethyl-6-oxo-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R,5R)-1-benzyl-4,5-dimethyl-6-oxodiazinane-3-carboxylate Traditional Name: (3S,4R,5R)-1-benzyl-6-keto-4,5-dimethyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(NC1C(=O)OC(C)(C)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)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H26N2O3/c1-12-13(2)16(21)20(11-14-9-7-6-8-10-14)19-15(12)17(22)23-18(3,4)5/h6-10,12-13,15,19H,11H2,1-5H3/t12-,13-,15+/m1/s1