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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-keto-ethylidene]isoindol-1-yl]-4-methyl-benzamide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-3-4-5-8-15-27-25(31)21(16-26)22-19-9-6-7-10-20(19)23(28-22)29-24(30)18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,27,31)(H,28,29,30)/b22-21-