3-bromanyl-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine-7-carbonitrile

Systemtic Name: 3-bromanyl-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine-7-carbonitrile Openeye Name: 3-bromo-5-(isopropoxymethyl)-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine-7-carbonitrile CAS Name: 3-bromo-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine-7-carbonitrile IUPAC Name: 3-bromo-5-(propan-2-yloxymethyl)-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine-7-carbonitrile Traditional Name: 3-bromo-5-(isopropoxymethyl)-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine-7-carbonitrile Formula: C18H15BrF3N3O MolecularWeight: 426.23041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1(C2=CC(=CN=C2NC3=C1C=C(C=C3)C#N)Br)C(F)(F)F

Isomeric SMILES

CC(C)OCC1(C2=CC(=CN=C2NC3=C1C=C(C=C3)C#N)Br)C(F)(F)F

InChI

InChI=1S/C18H15BrF3N3O/c1-10(2)26-9-17(18(20,21)22)13-5-11(7-23)3-4-15(13)25-16-14(17)6-12(19)8-24-16/h3-6,8,10H,9H2,1-2H3,(H,24,25)