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

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-7,7-dimethyl-4-(5-methyl-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-5-keto-7,7-dimethyl-4-(5-methyl-2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H21ClFN3OS MolecularWeight: 441.948743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)F)Cl)N)C#N

Isomeric SMILES

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)F)Cl)N)C#N

InChI

InChI=1S/C23H21ClFN3OS/c1-12-4-7-19(30-12)20-14(11-26)22(27)28(13-5-6-16(25)15(24)8-13)17-9-23(2,3)10-18(29)21(17)20/h4-8,20H,9-10,27H2,1-3H3