(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-o-toluoyl-acrylonitrile Formula: C23H18N4O MolecularWeight: 366.41522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C23H18N4O/c1-17-8-5-6-11-21(17)23(28)19(15-25)14-20-16-27(13-7-12-24)26-22(20)18-9-3-2-4-10-18/h2-6,8-11,14,16H,7,13H2,1H3/b19-14+