(3S)-N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-imidazol-1-ylpropyl)-1-(5-nitro-2-pyridyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1-imidazolyl)propyl]-1-(5-nitro-2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-imidazol-1-ylpropyl)-1-(5-nitro-2-pyridyl)nipecotamide Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C17H22N6O3/c24-17(19-6-2-8-21-10-7-18-13-21)14-3-1-9-22(12-14)16-5-4-15(11-20-16)23(25)26/h4-5,7,10-11,13-14H,1-3,6,8-9,12H2,(H,19,24)/t14-/m0/s1