2-azanyl-4-(4-bromanyl-5-methyl-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-methyl-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-methyl-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-methyl-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-methylthiophen-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-methyl-2-thienyl)-1-(3-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H21BrFN3OS MolecularWeight: 486.399743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C23H21BrFN3OS/c1-12-16(24)8-19(30-12)20-15(11-26)22(27)28(14-6-4-5-13(25)7-14)17-9-23(2,3)10-18(29)21(17)20/h4-8,20H,9-10,27H2,1-3H3