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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(3-chloranyl-4-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(3-chloro-4-fluoro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-(3-chloro-4-fluoro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H18BrClFN3OS MolecularWeight: 506.818223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrClFN3OS/c1-22(2)7-16-20(17(29)8-22)19(18-5-11(23)10-30-18)13(9-26)21(27)28(16)12-3-4-15(25)14(24)6-12/h3-6,10,19H,7-8,27H2,1-2H3