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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-cyclopropyl-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C26H30FN6O+ MolecularWeight: 461.554403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC=CC=C5F)C6CC6

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC=CC=C5F)C6CC6

InChI

InChI=1S/C26H29FN6O/c27-22-8-4-3-7-20(22)23-11-12-28-26(30-23)33-24(18-9-10-18)21(17-29-33)25(34)32-15-13-31(14-16-32)19-5-1-2-6-19/h3-4,7-8,11-12,17-19H,1-2,5-6,9-10,13-16H2/p+1