4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline Formula: C20H18F4N4O2S MolecularWeight: 454.441133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C20H18F4N4O2S/c21-14-6-8-15(9-7-14)31(29,30)28-11-3-10-27(12-13-28)18-16-4-1-2-5-17(16)25-19(26-18)20(22,23)24/h1-2,4-9H,3,10-13H2