[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C25H18BrN3O3 MolecularWeight: 488.33272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H18BrN3O3/c26-21-8-4-6-18(14-21)23(30)17-32-24(31)12-11-20-16-29(22-9-2-1-3-10-22)28-25(20)19-7-5-13-27-15-19/h1-16H,17H2