4-[[6-bromanyl-3-methyl-8-(trifluoromethyloxy)-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane

Systemtic Name: 4-[[6-bromanyl-3-methyl-8-(trifluoromethyloxy)-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane Openeye Name: 4-[[6-bromo-3-methyl-8-(trifluoromethoxy)-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane CAS Name: 4-[[6-bromo-3-methyl-8-(trifluoromethoxy)-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane IUPAC Name: 4-[[6-bromo-3-methyl-8-(trifluoromethoxy)-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane Traditional Name: 4-[[6-bromo-3-methyl-8-(trifluoromethoxy)-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane Formula: C18H18BrF3N4O2 MolecularWeight: 459.26033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=C(C=C(C3=NC2=NN1)OC(F)(F)F)Br)CN4CCCOCC4

Isomeric SMILES

CC1=C2C(=C3C=C(C=C(C3=NC2=NN1)OC(F)(F)F)Br)CN4CCCOCC4

InChI

InChI=1S/C18H18BrF3N4O2/c1-10-15-13(9-26-3-2-5-27-6-4-26)12-7-11(19)8-14(28-18(20,21)22)16(12)23-17(15)25-24-10/h7-8H,2-6,9H2,1H3,(H,23,24,25)