5-tert-butyl-3-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazino]methyl]pyrocatechol Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c1-22(2,3)17-13-16(20(30)19(29)14-17)15-26-9-11-27(12-10-26)21-23-24-25-28(21)18-7-5-4-6-8-18/h4-8,13-14,29-30H,9-12,15H2,1-3H3