2-methyl-5-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridine-3-carboxamide

Systemtic Name: 2-methyl-5-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridine-3-carboxamide Openeye Name: 2-methyl-5-nitro-N-[5-(1-piperidyl)-8-isoquinolyl]pyridine-3-carboxamide CAS Name: 2-methyl-5-nitro-N-[5-(1-piperidinyl)-8-isoquinolinyl]-3-pyridinecarboxamide IUPAC Name: 2-methyl-5-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridine-3-carboxamide Traditional Name: 2-methyl-5-nitro-N-(5-piperidino-8-isoquinolyl)nicotinamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-14-17(11-15(12-23-14)26(28)29)21(27)24-19-5-6-20(25-9-3-2-4-10-25)16-7-8-22-13-18(16)19/h5-8,11-13H,2-4,9-10H2,1H3,(H,24,27)