ethyl 1-(7-chloranylquinolin-4-yl)-5-[[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[[3-(2-ketopyrrolidino)propylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCCCN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCCCN4CCCC4=O

InChI

InChI=1S/C23H26ClN5O3/c1-2-32-23(31)18-14-27-29(20-8-10-26-19-13-16(24)6-7-17(19)20)21(18)15-25-9-4-12-28-11-3-5-22(28)30/h6-8,10,13-14,25H,2-5,9,11-12,15H2,1H3