(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=C(C#N)C2=NC3=CC=CC=C3N2C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OCC

InChI

InChI=1S/C22H22ClN3O2/c1-4-10-28-21-17(23)12-15(13-20(21)27-5-2)11-16(14-24)22-25-18-8-6-7-9-19(18)26(22)3/h6-9,11-13H,4-5,10H2,1-3H3/b16-11+