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

Systemtic Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methoxy-benzamide Openeye Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-4-methoxy-benzamide CAS Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]-1-isoindolyl]-4-methoxybenzamide IUPAC Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-4-methoxybenzamide Traditional Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-4-methoxy-benzamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3/c1-3-4-13-25-23(29)19(14-24)20-17-7-5-6-8-18(17)21(26-20)27-22(28)15-9-11-16(30-2)12-10-15/h5-12H,3-4,13H2,1-2H3,(H,25,29)(H,26,27,28)/b20-19-