(4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]methanone Formula: C26H32FN6O+ MolecularWeight: 463.570283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C5CCCC5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C26H31FN6O/c1-18(2)24-21(25(34)32-15-13-31(14-16-32)19-7-3-4-8-19)17-29-33(24)26-28-12-11-23(30-26)20-9-5-6-10-22(20)27/h5-6,9-12,17-19H,3-4,7-8,13-16H2,1-2H3/p+1