[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C28H21BrN2O4 MolecularWeight: 529.38134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C=CC4=CC=C(O4)Br)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)/C=C/C4=CC=C(O4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H21BrN2O4/c29-26-14-12-23(35-26)13-15-28(33)34-18-27(32)31-25(20-7-2-1-3-8-20)17-24(30-31)22-11-10-19-6-4-5-9-21(19)16-22/h1-16,25H,17-18H2/b15-13+