(E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-2-o-toluoyl-acrylonitrile Formula: C22H17N3O MolecularWeight: 339.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CN(C3=CC=CC=C32)CCC#N)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCC#N)/C#N

InChI

InChI=1S/C22H17N3O/c1-16-7-2-3-8-19(16)22(26)17(14-24)13-18-15-25(12-6-11-23)21-10-5-4-9-20(18)21/h2-5,7-10,13,15H,6,12H2,1H3/b17-13+