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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-methyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-methyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-methyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCC5)C

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCC5)C

InChI

InChI=1S/C23H28N6O2/c1-16-7-8-21(31-16)20-9-10-24-23(26-20)29-17(2)19(15-25-29)22(30)28-13-11-27(12-14-28)18-5-3-4-6-18/h7-10,15,18H,3-6,11-14H2,1-2H3/p+1