(1-azanylisoquinolin-6-yl)methyl 2,2,2-tris(fluoranyl)ethanoate; pyrrolidine-2-carboxamide

Systemtic Name: (1-azanylisoquinolin-6-yl)methyl 2,2,2-tris(fluoranyl)ethanoate; pyrrolidine-2-carboxamide Openeye Name: (1-amino-6-isoquinolyl)methyl 2,2,2-trifluoroacetate; pyrrolidine-2-carboxamide CAS Name: 2-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid (1-amino-6-isoquinolinyl)methyl ester IUPAC Name: (1-aminoisoquinolin-6-yl)methyl 2,2,2-trifluoroacetate; pyrrolidine-2-carboxamide Traditional Name: pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid (1-amino-6-isoquinolyl)methyl ester Formula: C17H19F3N4O3 MolecularWeight: 384.35297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N.C1=CC2=C(C=CN=C2N)C=C1COC(=O)C(F)(F)F

Isomeric SMILES

C1CC(NC1)C(=O)N.C1=CC2=C(C=CN=C2N)C=C1COC(=O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2.C5H10N2O/c13-12(14,15)11(18)19-6-7-1-2-9-8(5-7)3-4-17-10(9)16;6-5(8)4-2-1-3-7-4/h1-5H,6H2,(H2,16,17);4,7H,1-3H2,(H2,6,8)