4-[3-butyl-4-(diphenylmethyl)piperazin-1-yl]benzene-1,2-diol

Systemtic Name: 4-[3-butyl-4-(diphenylmethyl)piperazin-1-yl]benzene-1,2-diol Openeye Name: 4-(4-benzhydryl-3-butyl-piperazin-1-yl)benzene-1,2-diol CAS Name: 4-[3-butyl-4-(diphenylmethyl)-1-piperazinyl]benzene-1,2-diol IUPAC Name: 4-(4-benzhydryl-3-butylpiperazin-1-yl)benzene-1,2-diol Traditional Name: 4-(4-benzhydryl-3-butyl-piperazino)pyrocatechol Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)O

Isomeric SMILES

CCCCC1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C27H32N2O2/c1-2-3-14-24-20-28(23-15-16-25(30)26(31)19-23)17-18-29(24)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,15-16,19,24,27,30-31H,2-3,14,17-18,20H2,1H3