3-[(2-chloranyl-4-pyrimidin-5-yl-phenyl)methyl]-1-cyclohexyl-pyrrolidin-2-one hydrochloride

Systemtic Name: 3-[(2-chloranyl-4-pyrimidin-5-yl-phenyl)methyl]-1-cyclohexyl-pyrrolidin-2-one hydrochloride Openeye Name: 3-[(2-chloro-4-pyrimidin-5-yl-phenyl)methyl]-1-cyclohexyl-pyrrolidin-2-one hydrochloride CAS Name: 3-[[2-chloro-4-(5-pyrimidinyl)phenyl]methyl]-1-cyclohexyl-2-pyrrolidinone hydrochloride IUPAC Name: 3-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one hydrochloride Traditional Name: 3-[2-chloro-4-(5-pyrimidyl)benzyl]-1-cyclohexyl-2-pyrrolidone hydrochloride Formula: C21H25Cl2N3O MolecularWeight: 406.3487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CN=CN=C4)Cl.Cl

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CN=CN=C4)Cl.Cl

InChI

InChI=1S/C21H24ClN3O.ClH/c22-20-11-15(18-12-23-14-24-13-18)6-7-16(20)10-17-8-9-25(21(17)26)19-4-2-1-3-5-19;/h6-7,11-14,17,19H,1-5,8-10H2;1H