[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CC[NH+](CC5)C(C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CC[NH+](CC5)C(C)C

InChI

InChI=1S/C24H26N6O2/c1-16(2)28-10-12-29(13-11-28)23(31)19-15-26-30(17(19)3)24-25-9-8-20(27-24)22-14-18-6-4-5-7-21(18)32-22/h4-9,14-16H,10-13H2,1-3H3/p+1