(3S,6S)-4-butyl-3-[(4-hydroxyphenyl)methyl]-6-(phenylmethyl)piperazin-2-one

Systemtic Name: (3S,6S)-4-butyl-3-[(4-hydroxyphenyl)methyl]-6-(phenylmethyl)piperazin-2-one Openeye Name: (3S,6S)-6-benzyl-4-butyl-3-[(4-hydroxyphenyl)methyl]piperazin-2-one CAS Name: (3S,6S)-4-butyl-3-[(4-hydroxyphenyl)methyl]-6-(phenylmethyl)-2-piperazinone IUPAC Name: (3S,6S)-6-benzyl-4-butyl-3-[(4-hydroxyphenyl)methyl]piperazin-2-one Traditional Name: (3S,6S)-6-benzyl-4-butyl-3-(4-hydroxybenzyl)piperazin-2-one Formula: C22H28N2O2 MolecularWeight: 352.46992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(NC(=O)C1CC2=CC=C(C=C2)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C[C@@H](NC(=O)[C@@H]1CC2=CC=C(C=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-3-13-24-16-19(14-17-7-5-4-6-8-17)23-22(26)21(24)15-18-9-11-20(25)12-10-18/h4-12,19,21,25H,2-3,13-16H2,1H3,(H,23,26)/t19-,21-/m0/s1