1-[4-[[4-[[1-[3-(dimethylamino)propyl]-1,2,3,4-tetrazol-5-yl]methyl]phenoxy]methyl]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[[4-[[1-[3-(dimethylamino)propyl]-1,2,3,4-tetrazol-5-yl]methyl]phenoxy]methyl]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[[4-[[1-[3-(dimethylamino)propyl]tetrazol-5-yl]methyl]phenoxy]methyl]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[[4-[[1-[3-(dimethylamino)propyl]-5-tetrazolyl]methyl]phenoxy]methyl]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[[4-[[1-[3-(dimethylamino)propyl]tetrazol-5-yl]methyl]phenoxy]methyl]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[[4-[[1-[3-(dimethylamino)propyl]tetrazol-5-yl]methyl]phenoxy]methyl]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)CC3=NN=NN3CCCN(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)CC3=NN=NN3CCCN(C)C

InChI

InChI=1S/C25H33N5O3/c1-5-7-23-20(10-13-22(18(2)31)25(23)32)17-33-21-11-8-19(9-12-21)16-24-26-27-28-30(24)15-6-14-29(3)4/h8-13,32H,5-7,14-17H2,1-4H3