(4-bromophenyl)methyl 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-bromophenyl)methyl 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-bromophenyl)methyl 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-bromobenzyl) ester Formula: C25H18BrClN2O2 MolecularWeight: 493.77962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=CC(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=CC(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H18BrClN2O2/c26-21-11-6-18(7-12-21)17-31-24(30)15-10-20-16-29(23-4-2-1-3-5-23)28-25(20)19-8-13-22(27)14-9-19/h1-16H,17H2