N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-oxopropylamino)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide Traditional Name: N-piperonyl-2-(4-propionamidophenyl)cinchoninamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O4/c1-2-26(31)29-19-10-8-18(9-11-19)23-14-21(20-5-3-4-6-22(20)30-23)27(32)28-15-17-7-12-24-25(13-17)34-16-33-24/h3-14H,2,15-16H2,1H3,(H,28,32)(H,29,31)