4-[azanyl-(3-methylimidazol-4-yl)-(5-nitro-7-pyridin-3-yl-1-benzofuran-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-(3-methylimidazol-4-yl)-(5-nitro-7-pyridin-3-yl-1-benzofuran-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-(3-methylimidazol-4-yl)-[5-nitro-7-(3-pyridyl)benzofuran-2-yl]methyl]benzonitrile CAS Name: 4-[amino-(3-methyl-4-imidazolyl)-[5-nitro-7-(3-pyridinyl)-2-benzofuranyl]methyl]benzonitrile IUPAC Name: 4-[amino-(3-methylimidazol-4-yl)-(5-nitro-7-pyridin-3-yl-1-benzofuran-2-yl)methyl]benzonitrile Traditional Name: 4-[amino-(3-methylimidazol-4-yl)-[5-nitro-7-(3-pyridyl)benzofuran-2-yl]methyl]benzonitrile Formula: C25H18N6O3 MolecularWeight: 450.44882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CN=CC=C5)[N+](=O)[O-])N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CN=CC=C5)[N+](=O)[O-])N

InChI

InChI=1S/C25H18N6O3/c1-30-15-29-14-22(30)25(27,19-6-4-16(12-26)5-7-19)23-10-18-9-20(31(32)33)11-21(24(18)34-23)17-3-2-8-28-13-17/h2-11,13-15H,27H2,1H3