Rilapine
HIT212711510
sdf文件结构编辑类似物检索
HIT ID: HIT212711510
Cas No: 79781-95-6
分子式: C22H20ClN3
分子量: 361.87
常用名: Rilapine
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 4.0365605
IUPAC: 2-[(2Z)-6-chloro-10-(4-methylpiperazin-1-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene]acetonitrile
IUPAC: 2-[(2Z)-6-chloro-10-(4-methylpiperazin-1-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene]acetonitrile
SMILES: CN1CCN(CC1)C1=Cc2cc(Cl)ccc2\C(=C\C#N)c2ccccc12 |t:8|
SMILES: CN1CCN(CC1)C1=Cc2cc(Cl)ccc2\C(=C\C#N)c2ccccc12 |t:8|
InChI key: UJCYUJOQBXHJFH-ZBKNUEDVSA-N
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