N-[1-(4-fluorophenyl)ethyl]-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[1-(4-fluorophenyl)ethyl]-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[1-(4-fluorophenyl)ethyl]-6-methyl-2-quinazolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-6-methylquinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[1-(4-fluorophenyl)ethyl]-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C22H18F7N3O5 MolecularWeight: 537.384242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CN=C(N=C2C=C1)C(=O)NC(C)C3=CC=C(C=C3)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC2=CN=C(N=C2C=C1)C(=O)NC(C)C3=CC=C(C=C3)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H16FN3O.2C2HF3O2/c1-11-3-8-16-14(9-11)10-20-17(22-16)18(23)21-12(2)13-4-6-15(19)7-5-13;2*3-2(4,5)1(6)7/h3-10,12H,1-2H3,(H,21,23);2*(H,6,7)