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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-(4-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H23BrFN3O MolecularWeight: 480.372023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)F)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)F)C(=O)CC(C3)(C)C

InChI

InChI=1S/C25H23BrFN3O/c1-14-10-16(26)6-9-19(14)30-20-11-25(2,3)12-21(31)23(20)22(18(13-28)24(30)29)15-4-7-17(27)8-5-15/h4-10,22H,11-12,29H2,1-3H3