8-nitro-5-piperazin-1-yl-isoquinoline

Systemtic Name: 8-nitro-5-piperazin-1-yl-isoquinoline Openeye Name: 8-nitro-5-piperazin-1-yl-isoquinoline CAS Name: 8-nitro-5-(1-piperazinyl)isoquinoline IUPAC Name: 8-nitro-5-piperazin-1-ylisoquinoline Traditional Name: 8-nitro-5-piperazino-isoquinoline Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O2/c18-17(19)13-2-1-12(16-7-5-14-6-8-16)10-3-4-15-9-11(10)13/h1-4,9,14H,5-8H2