2-(1,3-benzodioxol-5-yl)-N-pyrimidin-2-yl-quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-pyrimidin-2-yl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-pyrimidin-2-yl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(2-pyrimidinyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-pyrimidin-2-ylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(2-pyrimidyl)cinchoninamide Formula: C21H14N4O3 MolecularWeight: 370.36086

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC=CC=N5

InChI

InChI=1S/C21H14N4O3/c26-20(25-21-22-8-3-9-23-21)15-11-17(24-16-5-2-1-4-14(15)16)13-6-7-18-19(10-13)28-12-27-18/h1-11H,12H2,(H,22,23,25,26)