(E)-2-cyano-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-N-(2-methoxyethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-N-(2-methoxyethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isoindolin-2-ylphenyl)-N-(2-methoxyethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-N-(2-methoxyethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-N-(2-methoxyethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isoindolin-2-ylphenyl)-N-(2-methoxyethyl)acrylamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)N2CC3=CC=CC=C3C2)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(C=C1)N2CC3=CC=CC=C3C2)/C#N

InChI

InChI=1S/C21H21N3O2/c1-26-11-10-23-21(25)19(13-22)12-16-6-8-20(9-7-16)24-14-17-4-2-3-5-18(17)15-24/h2-9,12H,10-11,14-15H2,1H3,(H,23,25)/b19-12+