4-[(2,4-dimethylphenyl)amino]-7-[5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-2-thienyl]quinoline-3-carbonitrile Formula: C28H26N6S MolecularWeight: 478.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CNCCC5=CN=CN5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CNCCC5=CN=CN5)C

InChI

InChI=1S/C28H26N6S/c1-18-3-7-25(19(2)11-18)34-28-21(13-29)14-32-26-12-20(4-6-24(26)28)27-8-5-23(35-27)16-30-10-9-22-15-31-17-33-22/h3-8,11-12,14-15,17,30H,9-10,16H2,1-2H3,(H,31,33)(H,32,34)