2-azanyl-4-(4-bromanyl-2-fluoranyl-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanyl-2-fluoranyl-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-fluoro-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-fluorophenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-2-fluorophenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-fluoro-phenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21BrFN3 MolecularWeight: 402.303243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H21BrFN3/c1-20(2,3)11-4-7-17-14(8-11)18(15(10-23)19(24)25-17)13-6-5-12(21)9-16(13)22/h5-6,9,11H,4,7-8H2,1-3H3,(H2,24,25)