[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C26H19BrN2O4 MolecularWeight: 503.34406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC=C(O4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O4/c27-24-13-12-23(33-24)26(31)32-16-25(30)29-22(18-7-2-1-3-8-18)15-21(28-29)20-11-10-17-6-4-5-9-19(17)14-20/h1-14,22H,15-16H2/t22-/m0/s1