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

Systemtic Name: (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]-3-phenyl-4-pyrazolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(4-fluorobenzyl)-3-phenyl-pyrazol-4-yl]-N-phenethyl-acrylamide Formula: C28H23FN4O MolecularWeight: 450.506823

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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)CC4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)F)/C#N

InChI

InChI=1S/C28H23FN4O/c29-26-13-11-22(12-14-26)19-33-20-25(27(32-33)23-9-5-2-6-10-23)17-24(18-30)28(34)31-16-15-21-7-3-1-4-8-21/h1-14,17,20H,15-16,19H2,(H,31,34)/b24-17+