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

Systemtic Name: tert-butyl (3S,4S,5R)-5-methyl-6-oxidanylidene-4-phenyl-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4S,5R)-1-benzyl-5-methyl-6-oxo-4-phenyl-hexahydropyridazine-3-carboxylate CAS Name: (3S,4S,5R)-5-methyl-6-oxo-4-phenyl-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S,5R)-1-benzyl-5-methyl-6-oxo-4-phenyldiazinane-3-carboxylate Traditional Name: (3S,4S,5R)-1-benzyl-6-keto-5-methyl-4-phenyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NN(C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H]([C@H](NN(C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-16-19(18-13-9-6-10-14-18)20(22(27)28-23(2,3)4)24-25(21(16)26)15-17-11-7-5-8-12-17/h5-14,16,19-20,24H,15H2,1-4H3/t16-,19+,20+/m1/s1