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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]cinchoninamide Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N4O3/c1-3-28-13-17(15(2)27-28)12-25-24(29)19-11-21(26-20-7-5-4-6-18(19)20)16-8-9-22-23(10-16)31-14-30-22/h4-11,13H,3,12,14H2,1-2H3,(H,25,29)