ethyl 1-(7-chloranylquinolin-4-yl)-5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[[(3-methylisoxazol-5-yl)methylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[[(3-methyl-5-isoxazolyl)methylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[[(3-methylisoxazol-5-yl)methylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCC4=CC(=NO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCC4=CC(=NO4)C

InChI

InChI=1S/C21H20ClN5O3/c1-3-29-21(28)17-11-25-27(20(17)12-23-10-15-8-13(2)26-30-15)19-6-7-24-18-9-14(22)4-5-16(18)19/h4-9,11,23H,3,10,12H2,1-2H3