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

Systemtic Name: ethyl 1-[4-(azocan-1-ylcarbonyl)phenyl]-4-bromanyl-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-4-bromo-5-methyl-pyrazole-3-carboxylate CAS Name: 1-[4-[1-azocanyl(oxo)methyl]phenyl]-4-bromo-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(azocane-1-carbonyl)phenyl]-4-bromo-5-methylpyrazole-3-carboxylate Traditional Name: 1-[4-(azocane-1-carbonyl)phenyl]-4-bromo-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C)C2=CC=C(C=C2)C(=O)N3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)C)C2=CC=C(C=C2)C(=O)N3CCCCCCC3

InChI

InChI=1S/C21H26BrN3O3/c1-3-28-21(27)19-18(22)15(2)25(23-19)17-11-9-16(10-12-17)20(26)24-13-7-5-4-6-8-14-24/h9-12H,3-8,13-14H2,1-2H3