2-(3-bromanylphenoxy)ethyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C24H19BrN2O3 MolecularWeight: 463.32326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCOC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCOC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H19BrN2O3/c25-19-10-7-13-21(16-19)29-14-15-30-24(28)22-17-27(20-11-5-2-6-12-20)26-23(22)18-8-3-1-4-9-18/h1-13,16-17H,14-15H2