ethyl 5-(4-phenoxybutanoylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(4-phenoxybutanoylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(4-phenoxybutanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(1-oxo-4-phenoxybutyl)amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-phenoxybutanoylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(4-phenoxybutanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O4/c1-2-32-25(31)20-17-26-29(22-15-14-18-9-6-7-12-21(18)27-22)24(20)28-23(30)13-8-16-33-19-10-4-3-5-11-19/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,28,30)