2-(1H-benzimidazol-2-yl)-3-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-(2-butyl-1,3-dioxo-isoindolin-5-yl)-3-oxo-propanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-(2-butyl-1,3-dioxo-5-isoindolyl)-3-oxopropanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-(2-butyl-1,3-dioxoisoindol-5-yl)-3-oxopropanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-(2-butyl-1,3-diketo-isoindolin-5-yl)-3-keto-propionitrile Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H18N4O3/c1-2-3-10-26-21(28)14-9-8-13(11-15(14)22(26)29)19(27)16(12-23)20-24-17-6-4-5-7-18(17)25-20/h4-9,11,16H,2-3,10H2,1H3,(H,24,25)