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

Systemtic Name: tert-butyl (3S,4R,5R)-4-methyl-6-oxidanylidene-1,5-bis(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4R,5R)-1,5-dibenzyl-4-methyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3S,4R,5R)-4-methyl-6-oxo-1,5-bis(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R,5R)-1,5-dibenzyl-4-methyl-6-oxodiazinane-3-carboxylate Traditional Name: (3S,4R,5R)-1,5-dibenzyl-6-keto-4-methyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(NC1C(=O)OC(C)(C)C)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](C(=O)N(N[C@@H]1C(=O)OC(C)(C)C)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-17-20(15-18-11-7-5-8-12-18)22(27)26(16-19-13-9-6-10-14-19)25-21(17)23(28)29-24(2,3)4/h5-14,17,20-21,25H,15-16H2,1-4H3/t17-,20-,21+/m1/s1