(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[5-(1-piperidyl)-8-isoquinolyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[5-(1-piperidinyl)-8-isoquinolinyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(5-piperidino-8-isoquinolyl)acrylamide Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C=CC4=CC(=CC5=C4OCOC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)/C=C/C4=CC(=CC5=C4OCOC5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O5/c30-24(7-4-17-12-19(29(31)32)13-18-15-33-16-34-25(17)18)27-22-5-6-23(28-10-2-1-3-11-28)20-8-9-26-14-21(20)22/h4-9,12-14H,1-3,10-11,15-16H2,(H,27,30)/b7-4+