(E)-2-cyano-3-[3-(2,3-dihydroindol-1-ylmethyl)-2,5-dimethyl-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(2,3-dihydroindol-1-ylmethyl)-2,5-dimethyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(indolin-1-ylmethyl)-2,5-dimethyl-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(2,3-dihydroindol-1-ylmethyl)-2,5-dimethylphenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(2,3-dihydroindol-1-ylmethyl)-2,5-dimethylphenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(indolin-1-ylmethyl)-2,5-dimethyl-phenyl]acrylamide Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=O)N)C)CN2CCC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=O)N)C)CN2CCC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O/c1-14-9-17(11-18(12-22)21(23)25)15(2)19(10-14)13-24-8-7-16-5-3-4-6-20(16)24/h3-6,9-11H,7-8,13H2,1-2H3,(H2,23,25)/b18-11+