ethyl 4-bromanyl-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-benzyloxyphenyl)-4-bromo-1-cyclohexyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-benzoxyphenyl)-4-bromo-1-cyclohexyl-pyrazole-3-carboxylic acid ethyl ester Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H27BrN2O3/c1-2-30-25(29)23-22(26)24(28(27-23)20-11-7-4-8-12-20)19-13-15-21(16-14-19)31-17-18-9-5-3-6-10-18/h3,5-6,9-10,13-16,20H,2,4,7-8,11-12,17H2,1H3