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

Systemtic Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: N-[3-[1-cyano-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethylidene]isoindol-1-yl]benzamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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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=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O3/c1-34-20-13-11-18(12-14-20)15-16-29-27(33)23(17-28)24-21-9-5-6-10-22(21)25(30-24)31-26(32)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,29,33)(H,30,31,32)