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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethoxyphenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H21BrFN3O3 MolecularWeight: 498.344243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrFN3O3/c1-31-14-7-9-21(32-2)15(11-14)22-16(12-27)24(28)29(18-8-6-13(25)10-17(18)26)19-4-3-5-20(30)23(19)22/h6-11,22H,3-5,28H2,1-2H3