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

Systemtic Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[5-(1-adamantyl)-2-ethoxyphenyl]-2-(1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[5-(1-adamantyl)-2-ethoxyphenyl]-2-(1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-(1H-benzimidazol-2-yl)acrylonitrile Formula: C28H29N3O MolecularWeight: 423.54936

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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=CC=CC=C6N5

Isomeric SMILES

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C=C(C#N)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H29N3O/c1-2-32-26-8-7-23(28-14-18-9-19(15-28)11-20(10-18)16-28)13-21(26)12-22(17-29)27-30-24-5-3-4-6-25(24)31-27/h3-8,12-13,18-20H,2,9-11,14-16H2,1H3,(H,30,31)