ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-(4-ethylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-(4-ethylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(4-ethylphenyl)pyrazole-3-carboxylate CAS Name: 1-[4-[1-azocanyl(oxo)methyl]phenyl]-5-(4-ethylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(4-ethylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[4-(azocane-1-carbonyl)phenyl]-5-(4-ethylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)N4CCCCCCC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)N4CCCCCCC4)C(=O)OCC

InChI

InChI=1S/C28H33N3O3/c1-3-21-10-12-22(13-11-21)26-20-25(28(33)34-4-2)29-31(26)24-16-14-23(15-17-24)27(32)30-18-8-6-5-7-9-19-30/h10-17,20H,3-9,18-19H2,1-2H3