tert-butyl 3-oxidanylidene-2-(1-phenylmethoxycarbonylpiperidin-4-yl)-1,2-diazinane-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-(1-phenylmethoxycarbonylpiperidin-4-yl)-1,2-diazinane-1-carboxylate Openeye Name: tert-butyl 2-(1-benzyloxycarbonyl-4-piperidyl)-3-oxo-hexahydropyridazine-1-carboxylate CAS Name: 3-oxo-2-(1-phenylmethoxycarbonyl-4-piperidinyl)-1-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-(1-phenylmethoxycarbonylpiperidin-4-yl)diazinane-1-carboxylate Traditional Name: 2-(1-carbobenzoxy-4-piperidyl)-3-keto-hexahydropyridazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(=O)N1C2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(=O)N1C2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(28)24-13-7-10-19(26)25(24)18-11-14-23(15-12-18)20(27)29-16-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-16H2,1-3H3