2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpyrazol-4-yl)methyl]cinchoninamide Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H20N4O3/c1-27-14-15(13-25-27)12-24-23(28)18-11-20(26-19-5-3-2-4-17(18)19)16-6-7-21-22(10-16)30-9-8-29-21/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,24,28)