1-(4-nitro-5-phenyl-1H-pyrazol-3-yl)azepane

Systemtic Name: 1-(4-nitro-5-phenyl-1H-pyrazol-3-yl)azepane Openeye Name: 1-(4-nitro-5-phenyl-1H-pyrazol-3-yl)azepane CAS Name: 1-(4-nitro-5-phenyl-1H-pyrazol-3-yl)azepane IUPAC Name: 1-(4-nitro-5-phenyl-1H-pyrazol-3-yl)azepane Traditional Name: 1-(4-nitro-5-phenyl-1H-pyrazol-3-yl)azepane Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NNC(=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=NNC(=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O2/c20-19(21)14-13(12-8-4-3-5-9-12)16-17-15(14)18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17)