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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N,N-dipentyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N,N-dipentyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N,N-dipentyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N,N-dipentylquinoline-4-carboxamide Traditional Name: N,N-diamyl-2-(1,3-benzodioxol-5-yl)cinchoninamide Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H32N2O3/c1-3-5-9-15-29(16-10-6-4-2)27(30)22-18-24(28-23-12-8-7-11-21(22)23)20-13-14-25-26(17-20)32-19-31-25/h7-8,11-14,17-18H,3-6,9-10,15-16,19H2,1-2H3