N-[(3E)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide

Systemtic Name: N-[(3E)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide Openeye Name: N-[(3E)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]-2-methyl-benzamide CAS Name: N-[(3E)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]-2-methylbenzamide IUPAC Name: N-[(3E)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide Traditional Name: N-[(3E)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]-2-methyl-benzamide Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NC(=C(C#N)C(=O)NCCC(C)C)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=N/C(=C(\C#N)/C(=O)NCCC(C)C)/C3=CC=CC=C32

InChI

InChI=1S/C24H24N4O2/c1-15(2)12-13-26-23(29)20(14-25)21-18-10-6-7-11-19(18)22(27-21)28-24(30)17-9-5-4-8-16(17)3/h4-11,15H,12-13H2,1-3H3,(H,26,29)(H,27,28,30)/b21-20+