[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

Systemtic Name: [(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-(1H-pyrazol-4-yl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-(1H-pyrazol-4-yl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-(1H-pyrazol-4-yl)methanone Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)CCC3=CC=CC=C3)O)C(=O)C4=CNN=C4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CCN(CC2)CCC3=CC=CC=C3)O)C(=O)C4=CNN=C4

InChI

InChI=1S/C21H29N5O2/c27-20-16-26(21(28)18-14-22-23-15-18)9-7-19(20)25-12-10-24(11-13-25)8-6-17-4-2-1-3-5-17/h1-5,14-15,19-20,27H,6-13,16H2,(H,22,23)/t19-,20-/m1/s1