(2S)-4-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-oxidanylidene-2-pyridin-2-yl-butanenitrile

Systemtic Name: (2S)-4-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-oxidanylidene-2-pyridin-2-yl-butanenitrile Openeye Name: (2S)-4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-oxo-2-(2-pyridyl)butanenitrile CAS Name: (2S)-4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-oxo-2-(2-pyridinyl)butanenitrile IUPAC Name: (2S)-4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-oxo-2-pyridin-2-ylbutanenitrile Traditional Name: (2S)-4-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-keto-2-(2-pyridyl)butyronitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)C(C#N)C3=CC=CC=N3

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)[C@H](C#N)C3=CC=CC=N3

InChI

InChI=1S/C17H17N3O3/c18-9-13(14-7-3-4-8-19-14)15(21)10-20-16(22)11-5-1-2-6-12(11)17(20)23/h3-4,7-8,11-13H,1-2,5-6,10H2/t11-,12-,13+/m0/s1