2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H25BrFN3O MolecularWeight: 494.398603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)F)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)F)N)C#N

InChI

InChI=1S/C26H25BrFN3O/c1-14-5-6-15(2)17(9-14)23-18(13-29)25(30)31(20-8-7-16(27)10-19(20)28)21-11-26(3,4)12-22(32)24(21)23/h5-10,23H,11-12,30H2,1-4H3