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

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-7,7-dimethyl-1-(o-tolyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-5-keto-7,7-dimethyl-1-(o-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H31N3OS MolecularWeight: 445.61954

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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)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3OS/c1-5-6-10-18-12-13-23(32-18)24-19(16-28)26(29)30(20-11-8-7-9-17(20)2)21-14-27(3,4)15-22(31)25(21)24/h7-9,11-13,24H,5-6,10,14-15,29H2,1-4H3