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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-7,7-dimethyl-4-(2-thienyl)-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=C(C=C(C=C3)Br)F)N)C#N)C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=CS4)C(=O)C1)C

InChI

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