2-azanyl-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-5-keto-7,7-dimethyl-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H28F3N3OS MolecularWeight: 499.59093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C(F)(F)F)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C(F)(F)F)N)C#N

InChI

InChI=1S/C27H28F3N3OS/c1-4-5-8-16-11-12-22(35-16)23-17(15-31)25(32)33(19-10-7-6-9-18(19)27(28,29)30)20-13-26(2,3)14-21(34)24(20)23/h6-7,9-12,23H,4-5,8,13-14,32H2,1-3H3