(E)-4-methyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]pent-2-en-1-one

Systemtic Name: (E)-4-methyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]pent-2-en-1-one Openeye Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-4-methyl-pent-2-en-1-one CAS Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-4-methyl-2-penten-1-one IUPAC Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-4-methylpent-2-en-1-one Traditional Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-4-methyl-pent-2-en-1-one Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O2/c1-19(2)8-9-23(28)26-13-11-21(22(27)18-26)25-16-14-24(15-17-25)12-10-20-6-4-3-5-7-20/h3-9,19,21-22,27H,10-18H2,1-2H3/b9-8+/t21-,22-/m1/s1