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

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-1-(3-chloro-2-methyl-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-1-(3-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H30ClN3OS MolecularWeight: 480.0646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN3OS/c1-5-6-8-17-11-12-23(33-17)24-18(15-29)26(30)31(20-10-7-9-19(28)16(20)2)21-13-27(3,4)14-22(32)25(21)24/h7,9-12,24H,5-6,8,13-14,30H2,1-4H3