N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-2-(4-pyridyl)cinchoninamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC=CS4

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC=CS4

InChI

InChI=1S/C23H22N4OS/c1-27(2)21(22-8-5-13-29-22)15-25-23(28)18-14-20(16-9-11-24-12-10-16)26-19-7-4-3-6-17(18)19/h3-14,21H,15H2,1-2H3,(H,25,28)/t21-/m1/s1