2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H31N5O2/c1-19-3-6-23(7-4-19)31-25(15-20(2)28-31)27-26(32)18-30-12-10-29(11-13-30)17-21-5-8-24-22(16-21)9-14-33-24/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,27,32)/p+1