ethyl 5-[(1-methoxypropan-2-ylamino)methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(1-methoxypropan-2-ylamino)methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(2-methoxy-1-methyl-ethyl)amino]methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(1-methoxypropan-2-ylamino)methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-methoxypropan-2-ylamino)methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[[(2-methoxy-1-methyl-ethyl)amino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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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)CNC(C)COC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNC(C)COC

InChI

InChI=1S/C21H26N4O4/c1-5-29-21(27)16-11-23-25(19(16)12-22-14(2)13-28-4)18-10-20(26)24(3)17-9-7-6-8-15(17)18/h6-11,14,22H,5,12-13H2,1-4H3