(E)-2-(1H-benzimidazol-2-yl)-3-[5-nitro-2,4-di(piperidin-1-yl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-nitro-2,4-di(piperidin-1-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-nitro-2,4-bis(1-piperidyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-nitro-2,4-bis(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-nitro-2,4-di(piperidin-1-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-2,4-dipiperidino-phenyl)acrylonitrile Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C26H28N6O2/c27-18-20(26-28-21-9-3-4-10-22(21)29-26)15-19-16-25(32(33)34)24(31-13-7-2-8-14-31)17-23(19)30-11-5-1-6-12-30/h3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,28,29)/b20-15+