2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]ethanone CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]ethanone Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCC(C(C3)O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CC[C@H]([C@@H](C3)O)N4CCN(CC4)C

InChI

InChI=1S/C23H33N5O2/c1-17-20(18(2)28(24-17)19-7-5-4-6-8-19)15-23(30)27-10-9-21(22(29)16-27)26-13-11-25(3)12-14-26/h4-8,21-22,29H,9-16H2,1-3H3/t21-,22-/m1/s1