3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[5-(1-adamantyl)-2-ethoxyphenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[5-(1-adamantyl)-2-ethoxyphenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C30H33N3O MolecularWeight: 451.60252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C=C(C#N)C5=NC6=C(N5)C=C(C(=C6)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C=C(C#N)C5=NC6=C(N5)C=C(C(=C6)C)C

InChI

InChI=1S/C30H33N3O/c1-4-34-28-6-5-25(30-14-20-9-21(15-30)11-22(10-20)16-30)13-23(28)12-24(17-31)29-32-26-7-18(2)19(3)8-27(26)33-29/h5-8,12-13,20-22H,4,9-11,14-16H2,1-3H3,(H,32,33)