[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic 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] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C29H23BrN2O4 MolecularWeight: 543.40792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)COC4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)COC4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H23BrN2O4/c30-24-11-6-12-25(16-24)35-19-29(34)36-18-28(33)32-27(21-8-2-1-3-9-21)17-26(31-32)23-14-13-20-7-4-5-10-22(20)15-23/h1-16,27H,17-19H2