[2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] 4-bromanylbenzoate

Systemtic Name: [2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] 4-bromanylbenzoate Openeye Name: [2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(3-methyl-1,5-diphenyl-4-pyrazolyl)phenyl] ester IUPAC Name: [2-(3-methyl-1,5-diphenylpyrazol-4-yl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] ester Formula: C29H21BrN2O2 MolecularWeight: 509.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H21BrN2O2/c1-20-27(25-14-8-9-15-26(25)34-29(33)22-16-18-23(30)19-17-22)28(21-10-4-2-5-11-21)32(31-20)24-12-6-3-7-13-24/h2-19H,1H3