[4-[2-azanyl-6-(2-bromophenyl)-3-cyano-pyridin-4-yl]phenyl] (Z)-3-phenylprop-2-enoate

Systemtic Name: [4-[2-azanyl-6-(2-bromophenyl)-3-cyano-pyridin-4-yl]phenyl] (Z)-3-phenylprop-2-enoate Openeye Name: [4-[2-amino-6-(2-bromophenyl)-3-cyano-4-pyridyl]phenyl] (Z)-3-phenylprop-2-enoate CAS Name: (Z)-3-phenyl-2-propenoic acid [4-[2-amino-6-(2-bromophenyl)-3-cyano-4-pyridinyl]phenyl] ester IUPAC Name: [4-[2-amino-6-(2-bromophenyl)-3-cyanopyridin-4-yl]phenyl] (Z)-3-phenylprop-2-enoate Traditional Name: (Z)-3-phenylacrylic acid [4-[2-amino-6-(2-bromophenyl)-3-cyano-4-pyridyl]phenyl] ester Formula: C27H18BrN3O2 MolecularWeight: 496.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C3=CC(=NC(=C3C#N)N)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C\C(=O)OC2=CC=C(C=C2)C3=CC(=NC(=C3C#N)N)C4=CC=CC=C4Br

InChI

InChI=1S/C27H18BrN3O2/c28-24-9-5-4-8-21(24)25-16-22(23(17-29)27(30)31-25)19-11-13-20(14-12-19)33-26(32)15-10-18-6-2-1-3-7-18/h1-16H,(H2,30,31)/b15-10-