3-[5-[4-(diphenylmethyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one hydrate dihydrochloride

Systemtic Name: 3-[5-[4-(diphenylmethyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one hydrate dihydrochloride Openeye Name: 3-[5-(4-benzhydrylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one hydrate dihydrochloride CAS Name: 3-[5-[4-(diphenylmethyl)-1-piperazinyl]pentyl]-1H-benzimidazol-2-one hydrate dihydrochloride IUPAC Name: 3-[5-(4-benzhydrylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one hydrate dihydrochloride Traditional Name: 3-[5-(4-benzhydrylpiperazino)pentyl]-1H-benzimidazol-2-one hydrate dihydrochloride Formula: C29H38Cl2N4O2 MolecularWeight: 545.54362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.O.Cl.Cl

InChI

InChI=1S/C29H34N4O.2ClH.H2O/c34-29-30-26-16-8-9-17-27(26)33(29)19-11-3-10-18-31-20-22-32(23-21-31)28(24-12-4-1-5-13-24)25-14-6-2-7-15-25;;;/h1-2,4-9,12-17,28H,3,10-11,18-23H2,(H,30,34);2*1H;1H2