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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)F)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)F)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

InChI

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