(E)-2-(1H-benzimidazol-2-yl)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylonitrile Formula: C21H16ClN5 MolecularWeight: 373.83824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5/c1-14-17(20(22)27(26-14)13-15-7-3-2-4-8-15)11-16(12-23)21-24-18-9-5-6-10-19(18)25-21/h2-11H,13H2,1H3,(H,24,25)/b16-11+