2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(3-hydroxy-4-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(3-hydroxy-4-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H19BrFN3O3 MolecularWeight: 484.317663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N)O

InChI

InChI=1S/C23H19BrFN3O3/c1-31-20-8-5-12(9-19(20)30)21-14(11-26)23(27)28(16-7-6-13(24)10-15(16)25)17-3-2-4-18(29)22(17)21/h5-10,21,30H,2-4,27H2,1H3