N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-keto-ethylidene]isoindol-1-yl]-4-methyl-benzamide Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCC(C)C)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)NCC(C)C)/C3=CC=CC=C32

InChI

InChI=1S/C23H22N4O2/c1-14(2)13-25-23(29)19(12-24)20-17-6-4-5-7-18(17)21(26-20)27-22(28)16-10-8-15(3)9-11-16/h4-11,14H,13H2,1-3H3,(H,25,29)(H,26,27,28)/b20-19-