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

Systemtic Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide Openeye Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-2-methyl-benzamide CAS Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]-1-isoindolyl]-2-methylbenzamide IUPAC Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide Traditional Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-2-methyl-benzamide Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3C)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3C)/C#N

InChI

InChI=1S/C23H22N4O2/c1-3-4-13-25-22(28)19(14-24)20-17-11-7-8-12-18(17)21(26-20)27-23(29)16-10-6-5-9-15(16)2/h5-12H,3-4,13H2,1-2H3,(H,25,28)(H,26,27,29)/b20-19-