(E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-phenethyl-acrylamide Formula: C24H21N5O MolecularWeight: 395.45644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C24H21N5O/c25-13-7-15-29-18-22(23(28-29)20-10-5-2-6-11-20)16-21(17-26)24(30)27-14-12-19-8-3-1-4-9-19/h1-6,8-11,16,18H,7,12,14-15H2,(H,27,30)/b21-16+