ethyl 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(2,2-dimethyltetrahydropyran-4-yl)amino]methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2,2-dimethyl-4-oxanyl)amino]methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[[(2,2-dimethyltetrahydropyran-4-yl)amino]methyl]-1-(2-keto-1-methyl-4-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNC4CCOC(C4)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNC4CCOC(C4)(C)C

InChI

InChI=1S/C24H30N4O4/c1-5-31-23(30)18-14-26-28(21(18)15-25-16-10-11-32-24(2,3)13-16)20-12-22(29)27(4)19-9-7-6-8-17(19)20/h6-9,12,14,16,25H,5,10-11,13,15H2,1-4H3