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

Systemtic Name: ethyl 5-[(4-aminocarbonylpiperidin-1-yl)methyl]-1-(7-chloranylquinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-carbamoyl-1-piperidyl)methyl]-1-(7-chloro-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(4-carbamoyl-1-piperidinyl)methyl]-1-(7-chloro-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(7-chloroquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[(4-carbamoylpiperidino)methyl]-1-(7-chloro-4-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H24ClN5O3 MolecularWeight: 441.91066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O3/c1-2-31-22(30)17-12-26-28(19-5-8-25-18-11-15(23)3-4-16(18)19)20(17)13-27-9-6-14(7-10-27)21(24)29/h3-5,8,11-12,14H,2,6-7,9-10,13H2,1H3,(H2,24,29)