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

Systemtic Name: 3-chloranyl-N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-keto-ethylidene]isoindol-1-yl]benzamide Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Cl)/C#N

InChI

InChI=1S/C24H21ClN4O2/c25-16-8-6-7-15(13-16)23(30)29-22-19-12-5-4-11-18(19)21(28-22)20(14-26)24(31)27-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,27,31)(H,28,29,30)/b21-20-