N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyridyl)cinchoninamide Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)OC1

InChI

InChI=1S/C24H19N3O3/c28-24(26-17-6-7-22-23(14-17)30-13-3-12-29-22)19-15-21(16-8-10-25-11-9-16)27-20-5-2-1-4-18(19)20/h1-2,4-11,14-15H,3,12-13H2,(H,26,28)