1-(5-cyanopyridin-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-methyl-N-[(3-nitrophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-methyl-N-(3-nitrobenzyl)isonipecotamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5O3/c1-23(14-15-3-2-4-18(11-15)25(27)28)20(26)17-7-9-24(10-8-17)19-6-5-16(12-21)13-22-19/h2-6,11,13,17H,7-10,14H2,1H3