3-(3-oxidanyl-4-phenyl-butyl)-1-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one

Systemtic Name: 3-(3-oxidanyl-4-phenyl-butyl)-1-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one Openeye Name: 3-(3-hydroxy-4-phenyl-butyl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one CAS Name: 3-(3-hydroxy-4-phenylbutyl)-1-[6-(2H-tetrazol-5-yl)hexyl]-2-pyrrolidinone IUPAC Name: 3-(3-hydroxy-4-phenylbutyl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one Traditional Name: 3-(3-hydroxy-4-phenyl-butyl)-1-[6-(2H-tetrazol-5-yl)hexyl]-2-pyrrolidone Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CCC(CC2=CC=CC=C2)O)CCCCCCC3=NNN=N3

Isomeric SMILES

C1CN(C(=O)C1CCC(CC2=CC=CC=C2)O)CCCCCCC3=NNN=N3

InChI

InChI=1S/C21H31N5O2/c27-19(16-17-8-4-3-5-9-17)12-11-18-13-15-26(21(18)28)14-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,18-19,27H,1-2,6-7,10-16H2,(H,22,23,24,25)