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

Systemtic Name: (2-cyanophenyl)methyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-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 (2-cyanophenyl)methyl ester IUPAC Name: (2-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 (2-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=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=CC(=O)OCC4=CC=CC=C4C#N

InChI

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