ethyl 5-[[3-(2-methylpropoxy)phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(2-methylpropoxy)phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-isobutoxybenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(2-methylpropoxy)benzoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(3-isobutoxybenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC=C4)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC=C4)OCC(C)C

InChI

InChI=1S/C26H26N4O4/c1-4-33-26(32)21-15-27-30(23-13-12-18-8-5-6-11-22(18)28-23)24(21)29-25(31)19-9-7-10-20(14-19)34-16-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,29,31)