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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2=CC=C(C=C2)C(=O)N3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2=CC=C(C=C2)C(=O)N3CCCCCCC3

InChI

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