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

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H25N6O2+ MolecularWeight: 417.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C

InChI

InChI=1S/C23H24N6O2/c1-3-27-10-12-28(13-11-27)22(30)18-15-25-29(16(18)2)23-24-9-8-19(26-23)21-14-17-6-4-5-7-20(17)31-21/h4-9,14-15H,3,10-13H2,1-2H3/p+1