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

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-1-(2-chloranylpyridin-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-1-(2-chloro-3-pyridyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-1-(2-chloro-3-pyridinyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-1-(2-chloro-3-pyridyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27ClN4OS MolecularWeight: 467.02608

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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=C(N=CC=C4)Cl)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4OS/c1-4-5-7-15-9-10-20(32-15)21-16(14-27)24(28)30(17-8-6-11-29-23(17)26)18-12-25(2,3)13-19(31)22(18)21/h6,8-11,21H,4-5,7,12-13,28H2,1-3H3