2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5-nitro-pyridine-3-carboxamide

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5-nitro-pyridine-3-carboxamide Openeye Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-5-nitro-pyridine-3-carboxamide CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-5-nitro-3-pyridinecarboxamide IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5-nitropyridine-3-carboxamide Traditional Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazino]-5-nitro-nicotinamide Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC=C(C=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC=C(C=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4/c1-10-14(11(2)26-19-10)9-20-3-5-21(6-4-20)16-13(15(17)23)7-12(8-18-16)22(24)25/h7-8H,3-6,9H2,1-2H3,(H2,17,23)