3-[[6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[6-[(2-chloro-6-fluoro-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[6-(2-chloro-6-fluoro-benzyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl-diethyl-ammonium Formula: C23H30ClFN5O+ MolecularWeight: 446.968603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C23H29ClFN5O/c1-5-29(6-2)12-8-11-26-23(31)19-14-27-30-16(4)17(15(3)28-22(19)30)13-18-20(24)9-7-10-21(18)25/h7,9-10,14H,5-6,8,11-13H2,1-4H3,(H,26,31)/p+1