tert-butyl 7-chloranyl-6-oxidanylidene-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-6-oxidanylidene-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate Openeye Name: tert-butyl 7-chloro-6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate CAS Name: 7-chloro-6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate Traditional Name: 7-chloro-6-keto-1,3,4,10b-tetrahydropyrazin[2,1-a]isoindole-2-carboxylic acid tert-butyl ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN2C(C1)C3=C(C2=O)C(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN2C(C1)C3=C(C2=O)C(=CC=C3)Cl

InChI

InChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(21)18-7-8-19-12(9-18)10-5-4-6-11(17)13(10)14(19)20/h4-6,12H,7-9H2,1-3H3