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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H19BrFN3OS MolecularWeight: 472.373163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C

InChI

InChI=1S/C22H19BrFN3OS/c1-22(2)8-16-20(17(28)9-22)19(18-7-12(23)11-29-18)13(10-25)21(26)27(16)15-6-4-3-5-14(15)24/h3-7,11,19H,8-9,26H2,1-2H3