ethyl 1-(7-chloranylquinolin-4-yl)-5-[(1-thiophen-2-ylethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[(1-thiophen-2-ylethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[[1-(2-thienyl)ethylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[(1-thiophen-2-ylethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[(1-thiophen-2-ylethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[[1-(2-thienyl)ethylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNC(C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNC(C)C4=CC=CS4

InChI

InChI=1S/C22H21ClN4O2S/c1-3-29-22(28)17-12-26-27(20(17)13-25-14(2)21-5-4-10-30-21)19-8-9-24-18-11-15(23)6-7-16(18)19/h4-12,14,25H,3,13H2,1-2H3