1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]but-3-en-1-one

Systemtic Name: 1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]but-3-en-1-one Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]but-3-en-1-one CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-3-buten-1-one IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]but-3-en-1-one Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]but-3-en-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)N1CCC(C(C1)O)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

C=CCC(=O)N1CC[C@H]([C@@H](C1)O)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c1-2-6-21(26)24-12-10-19(20(25)17-24)23-15-13-22(14-16-23)11-9-18-7-4-3-5-8-18/h2-5,7-8,19-20,25H,1,6,9-17H2/t19-,20-/m1/s1