2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O3/c1-33-22-11-9-20(10-12-22)24-17-23(19-5-3-2-4-6-19)27-30(24)25(31)18-28-13-15-29(16-14-28)26(32)21-7-8-21/h2-6,9-12,21,24H,7-8,13-18H2,1H3/p+1/t24-/m1/s1