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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-diethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-diethoxyphenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H25BrFN3O3 MolecularWeight: 526.397403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N

InChI

InChI=1S/C26H25BrFN3O3/c1-3-33-16-9-11-23(34-4-2)17(13-16)24-18(14-29)26(30)31(20-10-8-15(27)12-19(20)28)21-6-5-7-22(32)25(21)24/h8-13,24H,3-7,30H2,1-2H3