5-[5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]pentanoate

Systemtic Name: 5-[5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]pentanoate Openeye Name: 5-[5-[(4-benzhydrylpiperazin-1-yl)methyl]-2-phenyl-benzimidazol-1-yl]pentanoate CAS Name: 5-[5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-phenyl-1-benzimidazolyl]pentanoate IUPAC Name: 5-[5-[(4-benzhydrylpiperazin-1-yl)methyl]-2-phenylbenzimidazol-1-yl]pentanoate Traditional Name: 5-[5-[(4-benzhydrylpiperazino)methyl]-2-phenyl-benzimidazol-1-yl]valerate Formula: C36H37N4O2- MolecularWeight: 557.70458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=C4)CCCCC(=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=C4)CCCCC(=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H38N4O2/c41-34(42)18-10-11-21-40-33-20-19-28(26-32(33)37-36(40)31-16-8-3-9-17-31)27-38-22-24-39(25-23-38)35(29-12-4-1-5-13-29)30-14-6-2-7-15-30/h1-9,12-17,19-20,26,35H,10-11,18,21-25,27H2,(H,41,42)/p-1