(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2/c1-27-13-15-28(16-14-27)24(30)12-11-20-18-29(21-8-3-2-4-9-21)26-25(20)23-17-19-7-5-6-10-22(19)31-23/h2-12,17-18H,13-16H2,1H3/p+1/b12-11+