5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-ethyl-2-phenyl-hexanenitrile

Systemtic Name: 5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-ethyl-2-phenyl-hexanenitrile Openeye Name: 5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-ethyl-2-phenyl-hexanenitrile CAS Name: 5-[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-2-ethyl-2-phenylhexanenitrile IUPAC Name: 5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-ethyl-2-phenylhexanenitrile Traditional Name: 5-[4-(1,3-benzoxazol-2-yl)piperazino]-2-ethyl-2-phenyl-hexanenitrile Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)N1CCN(CC1)C2=NC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CCC(CCC(C)N1CCN(CC1)C2=NC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-3-25(19-26,21-9-5-4-6-10-21)14-13-20(2)28-15-17-29(18-16-28)24-27-22-11-7-8-12-23(22)30-24/h4-12,20H,3,13-18H2,1-2H3