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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

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