3-azanyl-5-[5-[(3-methyl-5-nitro-imidazol-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[(3-methyl-5-nitro-imidazol-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[(3-methyl-5-nitro-imidazol-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[(3-methyl-5-nitro-4-imidazolyl)amino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(3-methyl-5-nitroimidazol-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[(3-methyl-5-nitro-imidazol-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C13H18N8O2 MolecularWeight: 318.33442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N8O2/c1-20-8-17-13(21(22)23)12(20)16-6-4-2-3-5-10-9(7-14)11(15)19-18-10/h8,16H,2-6H2,1H3,(H3,15,18,19)