(E)-2-(4-tert-butylphenyl)carbonyl-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-[1-(2-cyanoethyl)indol-3-yl]acrylonitrile Formula: C25H23N3O MolecularWeight: 381.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CN(C3=CC=CC=C32)CCC#N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCC#N)/C#N

InChI

InChI=1S/C25H23N3O/c1-25(2,3)21-11-9-18(10-12-21)24(29)19(16-27)15-20-17-28(14-6-13-26)23-8-5-4-7-22(20)23/h4-5,7-12,15,17H,6,14H2,1-3H3/b19-15+