1-(8-nitroisoquinolin-5-yl)-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-(8-nitroisoquinolin-5-yl)-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-(8-nitro-5-isoquinolyl)-N-phenyl-piperidine-3-carboxamide CAS Name: 1-(8-nitro-5-isoquinolinyl)-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(8-nitroisoquinolin-5-yl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-(8-nitro-5-isoquinolyl)-N-phenyl-nipecotamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

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