(2S,5R)-N-(2-cyanoquinolin-8-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxane-2-carboxamide

Systemtic Name: (2S,5R)-N-(2-cyanoquinolin-8-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxane-2-carboxamide Openeye Name: (2S,5R)-N-(2-cyano-8-quinolyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)tetrahydropyran-2-carboxamide CAS Name: (2S,5R)-N-(2-cyano-8-quinolinyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxanecarboxamide IUPAC Name: (2S,5R)-N-(2-cyanoquinolin-8-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxane-2-carboxamide Traditional Name: (2S,5R)-N-(2-cyano-8-quinolyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)tetrahydropyran-2-carboxamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OCC1NCC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC5=C4N=C(C=C5)C#N

Isomeric SMILES

C1C[C@H](OC[C@@H]1NCC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC5=C4N=C(C=C5)C#N

InChI

InChI=1S/C25H24N4O4/c26-13-18-6-5-17-2-1-3-20(24(17)28-18)29-25(30)22-9-7-19(15-33-22)27-14-16-4-8-21-23(12-16)32-11-10-31-21/h1-6,8,12,19,22,27H,7,9-11,14-15H2,(H,29,30)/t19-,22+/m1/s1