tert-butyl 2-ethanoyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate

Systemtic Name: tert-butyl 2-ethanoyl-6-oxidanylidene-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl 2-acetyl-1-benzyl-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: 2-acetyl-6-oxo-1-(phenylmethyl)-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyl-1-benzyl-6-oxodiazinane-3-carboxylate Traditional Name: 2-acetyl-1-benzyl-6-keto-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CCC(=O)N1CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1C(CCC(=O)N1CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N2O4/c1-13(21)20-15(17(23)24-18(2,3)4)10-11-16(22)19(20)12-14-8-6-5-7-9-14/h5-9,15H,10-12H2,1-4H3