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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(3-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(3-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H23BrFN3OS MolecularWeight: 500.426323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)F)N)C#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)F)N)C#N)Br

InChI

InChI=1S/C24H23BrFN3OS/c1-4-19-16(25)9-20(31-19)21-15(12-27)23(28)29(14-7-5-6-13(26)8-14)17-10-24(2,3)11-18(30)22(17)21/h5-9,21H,4,10-11,28H2,1-3H3