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

Systemtic Name: N-[(3E)-3-(1-cyano-2-oxidanylidene-2-phenylazanyl-ethylidene)isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3E)-3-(2-anilino-1-cyano-2-oxo-ethylidene)isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3E)-3-(2-anilino-1-cyano-2-oxoethylidene)-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3E)-3-(2-anilino-1-cyano-2-oxoethylidene)isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3E)-3-(2-anilino-1-cyano-2-keto-ethylidene)isoindol-1-yl]-4-methyl-benzamide Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NC3=CC=CC=C3)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(\C#N)/C(=O)NC3=CC=CC=C3)/C4=CC=CC=C42

InChI

InChI=1S/C25H18N4O2/c1-16-11-13-17(14-12-16)24(30)29-23-20-10-6-5-9-19(20)22(28-23)21(15-26)25(31)27-18-7-3-2-4-8-18/h2-14H,1H3,(H,27,31)(H,28,29,30)/b22-21+