3-[2-oxidanylidene-3-[1-(4-oxidanylidene-3,3-diphenyl-hexyl)piperidin-4-yl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-oxidanylidene-3-[1-(4-oxidanylidene-3,3-diphenyl-hexyl)piperidin-4-yl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-oxo-3-[1-(4-oxo-3,3-diphenyl-hexyl)-4-piperidyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-oxo-3-[1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-oxo-3-[1-(4-oxo-3,3-diphenylhexyl)piperidin-4-yl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-keto-3-[1-(4-keto-3,3-diphenyl-hexyl)-4-piperidyl]benzimidazol-1-yl]propionitrile Formula: C33H36N4O2 MolecularWeight: 520.66454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O2/c1-2-31(38)33(26-12-5-3-6-13-26,27-14-7-4-8-15-27)20-25-35-23-18-28(19-24-35)37-30-17-10-9-16-29(30)36(32(37)39)22-11-21-34/h3-10,12-17,28H,2,11,18-20,22-25H2,1H3