ethyl 5-[2-(4-bromanylphenoxy)propanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanylphenoxy)propanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-bromophenoxy)propanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[2-(4-bromophenoxy)-1-oxopropyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromophenoxy)propanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-bromophenoxy)propanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C24H21BrN4O4 MolecularWeight: 509.35194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C(C)OC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C(C)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN4O4/c1-3-32-24(31)19-14-26-29(21-13-8-16-6-4-5-7-20(16)27-21)22(19)28-23(30)15(2)33-18-11-9-17(25)10-12-18/h4-15H,3H2,1-2H3,(H,28,30)