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

Systemtic Name: (4-cyanophenyl)methyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-cyanobenzyl) ester Formula: C26H18BrN3O2 MolecularWeight: 484.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18BrN3O2/c27-23-13-10-21(11-14-23)26-22(17-30(29-26)24-4-2-1-3-5-24)12-15-25(31)32-18-20-8-6-19(16-28)7-9-20/h1-15,17H,18H2