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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-[(3-methylphenyl)amino]-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(3-methylanilino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(m-toluidino)ethylidene]isoindol-1-yl]benzamide Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4)/C#N

InChI

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