2-[2-[(8-nitroisoquinolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(8-nitroisoquinolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 2-[2-[(8-nitro-5-isoquinolyl)amino]ethylamino]pyridine-3-carbonitrile CAS Name: 2-[2-[(8-nitro-5-isoquinolinyl)amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[(8-nitroisoquinolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 2-[2-[(8-nitro-5-isoquinolyl)amino]ethylamino]nicotinonitrile Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=C(N=C1)NCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14N6O2/c18-10-12-2-1-6-21-17(12)22-9-8-20-15-3-4-16(23(24)25)14-11-19-7-5-13(14)15/h1-7,11,20H,8-9H2,(H,21,22)