(2R,4S,4aS)-8-bromanyl-2,4-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile

Systemtic Name: (2R,4S,4aS)-8-bromanyl-2,4-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile Openeye Name: (2R,4S,4aS)-8-bromo-2,4-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile CAS Name: (2R,4S,4aS)-8-bromo-2,4-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile IUPAC Name: (2R,4S,4aS)-8-bromo-2,4-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile Traditional Name: (2R,4S,4aS)-8-bromo-2,4-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline-5,5-dicarbonitrile Formula: C16H16BrN3O MolecularWeight: 346.22174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN2C(C(O1)C)C(CC3=C2C=CC(=C3)Br)(C#N)C#N

Isomeric SMILES

C[C@@H]1CN2[C@H]([C@@H](O1)C)C(CC3=C2C=CC(=C3)Br)(C#N)C#N

InChI

InChI=1S/C16H16BrN3O/c1-10-7-20-14-4-3-13(17)5-12(14)6-16(8-18,9-19)15(20)11(2)21-10/h3-5,10-11,15H,6-7H2,1-2H3/t10-,11+,15-/m1/s1