2-azanyl-6-prop-2-ynyl-3-[[[4-(trifluoromethyloxy)phenyl]amino]methyl]quinazolin-4-one

Systemtic Name: 2-azanyl-6-prop-2-ynyl-3-[[[4-(trifluoromethyloxy)phenyl]amino]methyl]quinazolin-4-one Openeye Name: 2-amino-6-prop-2-ynyl-3-[[4-(trifluoromethoxy)anilino]methyl]quinazolin-4-one CAS Name: 2-amino-6-prop-2-ynyl-3-[[4-(trifluoromethoxy)anilino]methyl]-4-quinazolinone IUPAC Name: 2-amino-6-prop-2-ynyl-3-[[4-(trifluoromethoxy)anilino]methyl]quinazolin-4-one Traditional Name: 2-amino-6-propargyl-3-[[4-(trifluoromethoxy)anilino]methyl]quinazolin-4-one Formula: C19H15F3N4O2 MolecularWeight: 388.34321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=CC2=C(C=C1)N=C(N(C2=O)CNC3=CC=C(C=C3)OC(F)(F)F)N

Isomeric SMILES

C#CCC1=CC2=C(C=C1)N=C(N(C2=O)CNC3=CC=C(C=C3)OC(F)(F)F)N

InChI

InChI=1S/C19H15F3N4O2/c1-2-3-12-4-9-16-15(10-12)17(27)26(18(23)25-16)11-24-13-5-7-14(8-6-13)28-19(20,21)22/h1,4-10,24H,3,11H2,(H2,23,25)