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

Systemtic Name: tert-butyl (3S,4S)-6-oxidanylidene-4-phenyl-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4S)-1-benzyl-6-oxo-4-phenyl-hexahydropyridazine-3-carboxylate CAS Name: (3S,4S)-6-oxo-4-phenyl-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-1-benzyl-6-oxo-4-phenyldiazinane-3-carboxylate Traditional Name: (3S,4S)-1-benzyl-6-keto-4-phenyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CC(=O)N(N1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@@H](CC(=O)N(N1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(23-20)15-16-10-6-4-7-11-16/h4-13,18,20,23H,14-15H2,1-3H3/t18-,20-/m0/s1