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

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrate Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one hydrate CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one hydrate IUPAC Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one hydrate Traditional Name: 3-[3-(4-benzhydrylpiperazino)propyl]-1H-benzimidazol-2-one hydrate Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.O

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.O

InChI

InChI=1S/C27H30N4O.H2O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23;/h1-8,10-15,26H,9,16-21H2,(H,28,32);1H2