ethyl 1-(7-chloranylquinolin-4-yl)-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[[3-(hydroxymethyl)-1-piperidyl]methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[(3-methylolpiperidino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CN4CCCC(C4)CO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CN4CCCC(C4)CO

InChI

InChI=1S/C22H25ClN4O3/c1-2-30-22(29)18-11-25-27(21(18)13-26-9-3-4-15(12-26)14-28)20-7-8-24-19-10-16(23)5-6-17(19)20/h5-8,10-11,15,28H,2-4,9,12-14H2,1H3