N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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