(E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-pyridin-4-yl-pyrrol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-pyridin-4-yl-pyrrol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-pyridin-4-yl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]acrylonitrile Formula: C21H17N5 MolecularWeight: 339.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NC=C2)C)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H17N5/c1-14-11-16(15(2)26(14)18-7-9-23-10-8-18)12-17(13-22)21-24-19-5-3-4-6-20(19)25-21/h3-12H,1-2H3,(H,24,25)/b17-12+