1-[4-(methylamino)-3-nitro-phenyl]carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]carbonyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[4-(methylamino)-3-nitro-benzoyl]-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(methylamino)-3-nitrobenzoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[4-(methylamino)-3-nitro-benzoyl]-N-[2-(2-pyridyl)ethyl]isonipecotamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-22-18-6-5-16(14-19(18)26(29)30)21(28)25-12-8-15(9-13-25)20(27)24-11-7-17-4-2-3-10-23-17/h2-6,10,14-15,22H,7-9,11-13H2,1H3,(H,24,27)