(E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile chloride

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile chloride Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enenitrile chloride CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenenitrile chloride IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile chloride Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidino-phenyl)acrylonitrile chloride Formula: C21H19ClN5O2- MolecularWeight: 408.86086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2.ClH/c22-14-16(21-23-17-6-2-3-7-18(17)24-21)12-15-8-9-19(20(13-15)26(27)28)25-10-4-1-5-11-25;/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,24);1H/p-1/b16-12+;