1-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azepan-2-one Openeye Name: 1-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azepan-2-one CAS Name: 1-[3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]propyl]-2-azepanone IUPAC Name: 1-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azepan-2-one Traditional Name: 1-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azepan-2-one Formula: C18H21F3N4O MolecularWeight: 366.38075

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O/c19-18(20,21)17-23-14-8-4-3-7-13(14)16(24-17)22-10-6-12-25-11-5-1-2-9-15(25)26/h3-4,7-8H,1-2,5-6,9-12H2,(H,22,23,24)