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

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-(2,4-dimethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H25ClFN3O MolecularWeight: 449.947603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClFN3O/c1-14-5-7-17(15(2)9-14)23-18(13-29)25(30)31(16-6-8-20(28)19(27)10-16)21-11-26(3,4)12-22(32)24(21)23/h5-10,23H,11-12,30H2,1-4H3