HIT ID: HIT217590639
Cas No: 80109-27-9
分子式: C21H26N2O4
分子量: 370.449
常用名: Ciladopa (free base)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl}cyclohepta-2,4,6-trien-1-one
IUPAC: 2-{4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl}cyclohepta-2,4,6-trien-1-one
SMILES: COc1ccc(cc1OC)[C@H](O)CN1CCN(CC1)c1cccccc1=O
SMILES: COc1ccc(cc1OC)[C@H](O)CN1CCN(CC1)c1cccccc1=O
InChI key: SGEKLKJQLHJVDK-LJQANCHMSA-N