[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone

Systemtic Name: [4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone Openeye Name: [4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone CAS Name: [4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone IUPAC Name: [4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone Traditional Name: [4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-(4-triflylphenyl)methanone Formula: C19H17F6N3O3S MolecularWeight: 481.411999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F6N3O3S/c20-18(21,22)14-4-7-16(26-12-14)27-8-1-9-28(11-10-27)17(29)13-2-5-15(6-3-13)32(30,31)19(23,24)25/h2-7,12H,1,8-11H2