ethyl 1-(7-chloranylquinolin-4-yl)-5-[(4-oxidanylpiperidin-1-yl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[(4-oxidanylpiperidin-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[(4-hydroxy-1-piperidyl)methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[(4-hydroxy-1-piperidinyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[(4-hydroxypiperidin-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[(4-hydroxypiperidino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CN4CCC(CC4)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CN4CCC(CC4)O

InChI

InChI=1S/C21H23ClN4O3/c1-2-29-21(28)17-12-24-26(20(17)13-25-9-6-15(27)7-10-25)19-5-8-23-18-11-14(22)3-4-16(18)19/h3-5,8,11-12,15,27H,2,6-7,9-10,13H2,1H3