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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazino)cinchoninamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O3/c1-25-8-10-26(11-9-25)24-22(27)17-13-19(23-18-5-3-2-4-16(17)18)15-6-7-20-21(12-15)29-14-28-20/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)