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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)N(N1)CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-22(2,3)28-21(27)23(4)19(18-13-9-6-10-14-18)15-20(26)25(24-23)16-17-11-7-5-8-12-17/h5-14,19,24H,15-16H2,1-4H3/t19-,23-/m0/s1