4-[(2,4-dimethylphenyl)amino]-7-[5-[(2-hydroxyethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(2-hydroxyethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(2-hydroxyethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(2-hydroxyethylamino)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(2-hydroxyethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(2-hydroxyethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CNCCO)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CNCCO)C

InChI

InChI=1S/C25H24N4OS/c1-16-3-6-23(17(2)9-16)29-25-20(12-26)13-28-24-11-18(4-5-22(24)25)19-10-21(31-15-19)14-27-7-8-30/h3-6,9-11,13,15,27,30H,7-8,14H2,1-2H3,(H,28,29)