ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-[[(2-methylthiazol-4-yl)methylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-[[(2-methyl-4-thiazolyl)methylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[[(2-methylthiazol-4-yl)methylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CSC(=N4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CSC(=N4)C

InChI

InChI=1S/C22H23N5O3S/c1-4-30-22(29)17-11-24-27(20(17)12-23-10-15-13-31-14(2)25-15)19-9-21(28)26(3)18-8-6-5-7-16(18)19/h5-9,11,13,23H,4,10,12H2,1-3H3