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

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[(3-methoxypropylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[(3-methoxypropylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[(3-methoxypropylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[(3-methoxypropylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[(3-methoxypropylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-3-28-20(26)16-12-24-25(19(16)13-22-8-4-10-27-2)18-7-9-23-17-11-14(21)5-6-15(17)18/h5-7,9,11-12,22H,3-4,8,10,13H2,1-2H3