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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-oxidanylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxy-1-piperidyl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxy-1-piperidinyl)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxypiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxypiperidino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C28H28N4OS MolecularWeight: 468.61312

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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)CN5CCC(CC5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCC(CC5)O)C

InChI

InChI=1S/C28H28N4OS/c1-18-3-6-26(19(2)11-18)31-28-22(14-29)15-30-27-13-20(4-5-25(27)28)21-12-24(34-17-21)16-32-9-7-23(33)8-10-32/h3-6,11-13,15,17,23,33H,7-10,16H2,1-2H3,(H,30,31)