(2S)-2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholino-5-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholino-5-(trifluoromethyl)phenyl]propionamide Formula: C22H26F3N3O4 MolecularWeight: 453.45475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)N3C(=O)C4CCCCC4C3=O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)N3C(=O)C4CCCCC4C3=O

InChI

InChI=1S/C22H26F3N3O4/c1-13(28-20(30)15-4-2-3-5-16(15)21(28)31)19(29)26-17-12-14(22(23,24)25)6-7-18(17)27-8-10-32-11-9-27/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,26,29)/t13-,15?,16?/m0/s1