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

Systemtic Name: 4-[(R)-azanyl-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(R)-amino-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-benzofuran-2-yl)methyl]benzonitrile CAS Name: 4-[(R)-amino-(3-methyl-4-imidazolyl)-(5-nitro-7-phenyl-2-benzofuranyl)methyl]benzonitrile IUPAC Name: 4-[(R)-amino-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)methyl]benzonitrile Traditional Name: 4-[(R)-amino-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-benzofuran-2-yl)methyl]benzonitrile Formula: C26H19N5O3 MolecularWeight: 449.46076

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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=CC=CC=C5)[N+](=O)[O-])N

Isomeric SMILES

CN1C=NC=C1[C@](C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC=CC=C5)[N+](=O)[O-])N

InChI

InChI=1S/C26H19N5O3/c1-30-16-29-15-23(30)26(28,20-9-7-17(14-27)8-10-20)24-12-19-11-21(31(32)33)13-22(25(19)34-24)18-5-3-2-4-6-18/h2-13,15-16H,28H2,1H3/t26-/m1/s1