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

Systemtic Name: 5-tert-butyl-3-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[(4-phenyl-1-piperazinyl)methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[(4-phenylpiperazino)methyl]pyrocatechol Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-21(2,3)17-13-16(20(25)19(24)14-17)15-22-9-11-23(12-10-22)18-7-5-4-6-8-18/h4-8,13-14,24-25H,9-12,15H2,1-3H3