ethyl 1-(7-chloranylquinolin-4-yl)-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCCC4=CC=C(C=C4)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCCC4=CC=C(C=C4)O

InChI

InChI=1S/C24H23ClN4O3/c1-2-32-24(31)20-14-28-29(22-10-12-27-21-13-17(25)5-8-19(21)22)23(20)15-26-11-9-16-3-6-18(30)7-4-16/h3-8,10,12-14,26,30H,2,9,11,15H2,1H3