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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C22H18ClN5 MolecularWeight: 387.86482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3N2C)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN5/c1-15-18(21(23)28(26-15)14-16-8-4-3-5-9-16)12-17(13-24)22-25-19-10-6-7-11-20(19)27(22)2/h3-12H,14H2,1-2H3/b17-12+