2,3-dihydro-1,4-benzodioxin-6-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(8-nitro-5-isoquinolinyl)-4-piperidinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]methanone Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c27-23(16-1-4-21-22(13-16)31-12-11-30-21)15-6-9-25(10-7-15)19-2-3-20(26(28)29)18-14-24-8-5-17(18)19/h1-5,8,13-15H,6-7,9-12H2