N-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]benzamide

Systemtic Name: N-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]benzamide Openeye Name: N-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]benzamide CAS Name: N-[1-(8-nitro-5-isoquinolinyl)-4-piperidinyl]benzamide IUPAC Name: N-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]benzamide Traditional Name: N-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]benzamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c26-21(15-4-2-1-3-5-15)23-16-9-12-24(13-10-16)19-6-7-20(25(27)28)18-14-22-11-8-17(18)19/h1-8,11,14,16H,9-10,12-13H2,(H,23,26)