2-[1-(1,3-benzodioxol-5-yl)pyrazol-4-yl]-N,N-dimethyl-quinoline-4-carboxamide

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)pyrazol-4-yl]-N,N-dimethyl-quinoline-4-carboxamide Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)pyrazol-4-yl]-N,N-dimethyl-quinoline-4-carboxamide CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-4-pyrazolyl]-N,N-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)pyrazol-4-yl]-N,N-dimethylquinoline-4-carboxamide Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)pyrazol-4-yl]-N,N-dimethyl-cinchoninamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O3/c1-25(2)22(27)17-10-19(24-18-6-4-3-5-16(17)18)14-11-23-26(12-14)15-7-8-20-21(9-15)29-13-28-20/h3-12H,13H2,1-2H3