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

Systemtic Name: ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-pentan-3-yl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(1-ethylpropyl)pyrazole-3-carboxylate CAS Name: 1-[4-[1-azocanyl(oxo)methyl]phenyl]-5-pentan-3-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-pentan-3-ylpyrazole-3-carboxylate Traditional Name: 1-[4-(azocane-1-carbonyl)phenyl]-5-(1-ethylpropyl)pyrazole-3-carboxylic acid ethyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCCCCCC3)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCCCCCC3)C(=O)OCC

InChI

InChI=1S/C25H35N3O3/c1-4-19(5-2)23-18-22(25(30)31-6-3)26-28(23)21-14-12-20(13-15-21)24(29)27-16-10-8-7-9-11-17-27/h12-15,18-19H,4-11,16-17H2,1-3H3