3-bromanyl-1-oxidanyl-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)benzo[b][1,8]naphthyridine-7-carbonitrile

Systemtic Name: 3-bromanyl-1-oxidanyl-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)benzo[b][1,8]naphthyridine-7-carbonitrile Openeye Name: 3-bromo-1-hydroxy-5-(isopropoxymethyl)-5-(trifluoromethyl)benzo[b][1,8]naphthyridine-7-carbonitrile CAS Name: 3-bromo-1-hydroxy-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)-7-benzo[b][1,8]naphthyridinecarbonitrile IUPAC Name: 3-bromo-1-hydroxy-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)benzo[b][1,8]naphthyridine-7-carbonitrile Traditional Name: 3-bromo-1-hydroxy-5-(isopropoxymethyl)-5-(trifluoromethyl)benzo[b][1,8]naphthyridine-7-carbonitrile Formula: C18H15BrF3N3O2 MolecularWeight: 442.22981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1(C2=CC(=CN(C2=NC3=C1C=C(C=C3)C#N)O)Br)C(F)(F)F

Isomeric SMILES

CC(C)OCC1(C2=CC(=CN(C2=NC3=C1C=C(C=C3)C#N)O)Br)C(F)(F)F

InChI

InChI=1S/C18H15BrF3N3O2/c1-10(2)27-9-17(18(20,21)22)13-5-11(7-23)3-4-15(13)24-16-14(17)6-12(19)8-25(16)26/h3-6,8,10,26H,9H2,1-2H3