ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-butan-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-5-butan-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 1-[4-[1-azocanyl(oxo)methyl]phenyl]-5-butan-2-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-butan-2-ylpyrazole-3-carboxylate Traditional Name: 1-[4-(azocane-1-carbonyl)phenyl]-5-sec-butyl-pyrazole-3-carboxylic acid ethyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3/c1-4-18(3)22-17-21(24(29)30-5-2)25-27(22)20-13-11-19(12-14-20)23(28)26-15-9-7-6-8-10-16-26/h11-14,17-18H,4-10,15-16H2,1-3H3