2-chloranyl-N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 2-chloro-N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 2-chloro-N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 2-chloro-N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 2-chloro-N-[3-[1-cyano-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethylidene]isoindol-1-yl]benzamide Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C27H21ClN4O3/c1-35-18-12-10-17(11-13-18)14-15-30-26(33)22(16-29)24-19-6-2-3-7-20(19)25(31-24)32-27(34)21-8-4-5-9-23(21)28/h2-13H,14-15H2,1H3,(H,30,33)(H,31,32,34)