ethyl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(2,4-dichlorophenoxy)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,4-dichlorophenoxy)butanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[4-(2,4-dichlorophenoxy)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H22Cl2N4O4 MolecularWeight: 513.37258

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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)CCCOC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22Cl2N4O4/c1-2-34-25(33)18-15-28-31(22-12-9-16-6-3-4-7-20(16)29-22)24(18)30-23(32)8-5-13-35-21-11-10-17(26)14-19(21)27/h3-4,6-7,9-12,14-15H,2,5,8,13H2,1H3,(H,30,32)