(E)-2-(1H-benzimidazol-2-yl)-3-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)acrylonitrile Formula: C20H15N5O MolecularWeight: 341.366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=C(C#N)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1/C=C(\C#N)/C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O/c1-13-16(20(26)25(24-13)15-7-3-2-4-8-15)11-14(12-21)19-22-17-9-5-6-10-18(17)23-19/h2-11,16H,1H3,(H,22,23)/b14-11+