(2S)-3-[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: (2S)-3-[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: (2S)-3-(2-isopentyl-1,3-dioxo-isoindolin-5-yl)-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: (2S)-3-[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: (2S)-3-[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: (2S)-3-(2-isoamyl-1,3-diketo-isoindolin-5-yl)-3-keto-2-(2-pyridyl)propionitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C(C#N)C3=CC=CC=N3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[C@H](C#N)C3=CC=CC=N3

InChI

InChI=1S/C21H19N3O3/c1-13(2)8-10-24-20(26)15-7-6-14(11-16(15)21(24)27)19(25)17(12-22)18-5-3-4-9-23-18/h3-7,9,11,13,17H,8,10H2,1-2H3/t17-/m1/s1