(4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C25H31N6O2+ MolecularWeight: 447.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N4CC[NH+](CC4)C5CCCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C25H30N6O2/c1-18-21(24(32)30-15-13-29(14-16-30)19-7-3-4-8-19)17-27-31(18)25-26-12-11-22(28-25)20-9-5-6-10-23(20)33-2/h5-6,9-12,17,19H,3-4,7-8,13-16H2,1-2H3/p+1