(E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-cyano-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C25H23BrN4O2 MolecularWeight: 491.37972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)Br)/C#N

InChI

InChI=1S/C25H23BrN4O2/c26-22-10-8-18(9-11-22)16-30-17-21(24(29-30)19-5-2-1-3-6-19)13-20(14-27)25(31)28-15-23-7-4-12-32-23/h1-3,5-6,8-11,13,17,23H,4,7,12,15-16H2,(H,28,31)/b20-13+