(E)-3-(2,4-dimorpholin-4-yl-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(2,4-dimorpholin-4-yl-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2,4-dimorpholino-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[2,4-bis(4-morpholinyl)-5-nitrophenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2,4-dimorpholin-4-yl-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2,4-dimorpholino-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3N4CCOCC4)N5CCOCC5)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3N4CCOCC4)N5CCOCC5)[N+](=O)[O-])/C#N

InChI

InChI=1S/C25H26N6O4/c1-17-2-3-20-21(12-17)28-25(27-20)19(16-26)13-18-14-24(31(32)33)23(30-6-10-35-11-7-30)15-22(18)29-4-8-34-9-5-29/h2-3,12-15H,4-11H2,1H3,(H,27,28)/b19-13+