1H-indole-5-carboxamide; (2-methylquinolin-4-yl)methyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1H-indole-5-carboxamide; (2-methylquinolin-4-yl)methyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1H-indole-5-carboxamide; (2-methyl-4-quinolyl)methyl 2,2,2-trifluoroacetate CAS Name: 1H-indole-5-carboxamide; 2,2,2-trifluoroacetic acid (2-methyl-4-quinolinyl)methyl ester IUPAC Name: 1H-indole-5-carboxamide; (2-methylquinolin-4-yl)methyl 2,2,2-trifluoroacetate Traditional Name: 1H-indole-5-carboxamide; 2,2,2-trifluoroacetic acid (2-methyl-4-quinolyl)methyl ester Formula: C22H18F3N3O3 MolecularWeight: 429.39183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC(=O)C(F)(F)F.C1=CC2=C(C=CN2)C=C1C(=O)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC(=O)C(F)(F)F.C1=CC2=C(C=CN2)C=C1C(=O)N

InChI

InChI=1S/C13H10F3NO2.C9H8N2O/c1-8-6-9(7-19-12(18)13(14,15)16)10-4-2-3-5-11(10)17-8;10-9(12)7-1-2-8-6(5-7)3-4-11-8/h2-6H,7H2,1H3;1-5,11H,(H2,10,12)