3-[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[3-(4-piperidinobut-1-ynyl)benzyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C28H34N4O/c33-28-29-26-12-2-3-13-27(26)32(28)25-14-19-31(20-15-25)22-24-11-8-10-23(21-24)9-4-7-18-30-16-5-1-6-17-30/h2-3,8,10-13,21,25H,1,5-7,14-20,22H2,(H,29,33)