5-(1,4-diazepan-1-yl)-8-nitro-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-yl)-8-nitro-isoquinoline Openeye Name: 5-(1,4-diazepan-1-yl)-8-nitro-isoquinoline CAS Name: 5-(1,4-diazepan-1-yl)-8-nitroisoquinoline IUPAC Name: 5-(1,4-diazepan-1-yl)-8-nitroisoquinoline Traditional Name: 5-(1,4-diazepan-1-yl)-8-nitro-isoquinoline Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2/c19-18(20)14-3-2-13(11-4-6-16-10-12(11)14)17-8-1-5-15-7-9-17/h2-4,6,10,15H,1,5,7-9H2