2-(1H-benzimidazol-2-yl)-3-(5-chloranyl-2-octan-2-yloxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-(5-chloranyl-2-octan-2-yloxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-[5-chloro-2-(1-methylheptoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-(5-chloro-2-octan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-(5-chloro-2-octan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-[5-chloro-2-(1-methylheptoxy)phenyl]acrylonitrile Formula: C24H26ClN3O MolecularWeight: 407.93574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)Cl)C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)Cl)C=C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C24H26ClN3O/c1-3-4-5-6-9-17(2)29-23-13-12-20(25)15-18(23)14-19(16-26)24-27-21-10-7-8-11-22(21)28-24/h7-8,10-15,17H,3-6,9H2,1-2H3,(H,27,28)