1-[6-(1H-benzimidazol-2-yl)-2-oxidanyl-6-oxidanylidene-hexyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[6-(1H-benzimidazol-2-yl)-2-oxidanyl-6-oxidanylidene-hexyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[6-(1H-benzimidazol-2-yl)-2-hydroxy-6-oxo-hexyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[6-(1H-benzimidazol-2-yl)-2-hydroxy-6-oxohexyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[6-(1H-benzimidazol-2-yl)-2-hydroxy-6-oxohexyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[6-(1H-benzimidazol-2-yl)-2-hydroxy-6-keto-hexyl]-4-phenyl-isonipecotonitrile Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CC(CCCC(=O)C3=NC4=CC=CC=C4N3)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CC(CCCC(=O)C3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C25H28N4O2/c26-18-25(19-7-2-1-3-8-19)13-15-29(16-14-25)17-20(30)9-6-12-23(31)24-27-21-10-4-5-11-22(21)28-24/h1-5,7-8,10-11,20,30H,6,9,12-17H2,(H,27,28)